Accepted Manuscript

CFD-Aided Modelling of Activated Sludge Systems – A Critical Review

Anna M. Karpinska, John Bridgeman

PII: S0043-1354(15)30336-5
DOI: 10.1016/j.watres.2015.11.008
Reference: WR 11635

To appear in: Water Research

Received Date: 25 June 2015

Revised Date: 1 November 2015
Accepted Date: 2 November 2015

Please cite this article as: Karpinska, A.M., Bridgeman, J., CFD-Aided Modelling of Activated Sludge
Systems – A Critical Review, Water Research (2015), doi: 10.1016/j.watres.2015.11.008.

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 ACCEPTED MANUSCRIPT

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 ACCEPTED MANUSCRIPT
1 Title: CFD-Aided Modelling of Activated Sludge Systems –

2 A Critical Review.

4 Authors: Anna M. Karpinskaa, John Bridgemana

a
5 – School of Civil Engineering, University of Birmingham,

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6 Edgbaston, Birmingham, B15 2TT, United Kingdom

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7 Email addresses: a.m.karpinskaportela@bham.ac.uk;

8 j.bridgeman@bham.ac.uk

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9 Corresponding author: Anna M. Karpinska

10 (a.m.karpinskaportela@bham.ac.uk)

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12 Abstract
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13 Nowadays, one of the major challenges in the wastewater

14 sector is the successful design and reliable operation of

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15 treatment processes, which guarantee high treatment

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16 efficiencies to comply with effluent quality criteria, while

17 keeping the investment and operating cost as low as possible.

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18 Although conceptual design and process control of activated

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19 sludge plants are key to ensuring these goals, they are still
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20 based on general empirical guidelines and operators’

21 experience, dominated often by rule of thumb. This review

22 paper discusses the rationale behind the use of Computational

23 Fluid Dynamics (CFD) to model aeration, facilitating

24 enhancement of treatment efficiency and reduction of energy

25 input. Several single- and multiphase approaches commonly

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26 used in CFD studies of aeration tank operation, are

27 comprehensively described, whilst the shortcomings of the

28 modelling assumptions imposed to evaluate mixing and mass

29 transfer in AS tanks are identified and discussed. Examples and

30 methods of coupling of CFD data with biokinetics, accounting

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31 for the actual flow field and its impact on the oxygen mass

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32 transfer and yield of the biological processes occurring in the

33 aeration tanks, are also critically discussed. Finally, modelling

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34 issues, which remain unaddressed, (e.g. coupling of the AS

35 tank with secondary clarifier and the use of population balance

36
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models to simulate bubbly flow or flocculation of the activated
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37 sludge), are also identified and discussed.
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38

39 Keywords
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40 Activated Sludge; aeration; Computational Fluid Dynamics;

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41 hydrodynamics; multiphase models; turbulence

42
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43 Nomenclature
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 mass fraction of phase  [-]

 sum of interfacial forces shared by the phases [N]

 sum of interfacial forces between the continuous and

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dispersed phases [N]

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 diffusion flux of ′ species [kg m-2 s-1]

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turbulent kinetic energy, [m2 s-2]

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volumetric mass transfer coefficient [h-1]

 mass transfer from phase  to  [kg s-1]

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D

 mass transfer from phase  to  [kg s-1]

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 pressure [Pa]
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̅ averaged pressure field [Pa]

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 net rate of production of ′ species due to chemical

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reaction [kg m-3 s-1]

 Reynolds number [-]

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 source term representing rate of creation of ′ species

from dispersed phase and any user-defined sources [kg

m-3 s-1]

 time [s]

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 particle relaxation time [s]

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velocity [m s-1]

, drift velocity for phase  [m s-1]

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 ,  ,  velocity components [m s-1]
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̅ averaged velocity term [m s-1]

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′
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fluctuating velocity term [m s-1]


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velocity of mixture [m s-1]

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 velocity of the particle [m s-1]

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 velocity of phase  [m s-1]

 velocity of phase  relative to velocity of phase  [m s-1]

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 velocity of phase  [m s-1]

distance [m]

spatial coordinates (displacement in the streamwise

,  , 

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direction) [m]

! mass fraction of the ’-th species [-]

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44

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45 Greek letters
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" phasic volume fraction [-]
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"∗ damping function coefficient [-]

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$ turbulent kinetic energy dissipation rate [m2 s-3]

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% dynamic viscosity of the fluid [Pa s]

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% dynamic viscosity of the mixture [Pa s]

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% dynamic viscosity of the phase  [Pa s]

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%& turbulent viscosity [Pa s]

' fluid density [kg m-3]

' density of the mixture [kg m-3]

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' density of the particle [kg m-3]

' density of the phase  [kg m-3]

' density of the phase  [kg m-3]

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specific turbulence dissipation (frequency)

[s-1]

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46

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47 Indices

)*

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refers to drift velocity


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index or counter

′ species index

+
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index or counter

refers to turbulence kinetic energy
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, index or counter
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 refers to mixture

-
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refers to particle

 refers to phase 

 refers to phase 
C


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refers to turbulence

48

49

50 Abbreviations

51 ADV – Acoustic Doppler Anemomentry

52 AS – Activated Sludge

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53 ASM – Activated Sludge Model

54 ASM1 – Activated Sludge Model No. 1

55 ASP – Activated Sludge Plant

56 BOD – Biochemical Oxygen Demand

57 CFD – Computational Fluid Dynamics

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58 COD – Chemical Oxygen Demand

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59 CPU – Central Processing Unit

60 CSTR – Continuous Stirred Tank Reactor

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61 DO – Dissolved Oxygen

62 LDV – Laser Doppler Velocimetry

63 LES – Large |Eddy Simulation

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64 MDV– Mono-directional Velocimetry
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65 MLSS – Mixed Liquor Suspended Solids

66 MRF – Multiple Reference Frames

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67 PBM – Particle Balance Model

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68 PDA – Particle Dynamic Analysis

69 PFR – Plug Flow Reactor

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70 PID – Proportional-Integral-Derivative
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71 QMOM – Quadrature Method of Moments

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72 RAM – Random Access Memory

73 RANS – Reynolds Averaged Navier- Stokes Simulation

74 RSM – Reynolds Stress Model

75 RTD – Residence Time Distribution

76 SCADA – Supervisory Control and Data Acquisition

77 SGS – Sub-grid Scale

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78 SMM – Standard Method of Moments

79 SRT – Solids Retention Time

80 TSS – Total Suspended Solids

81 URANS – Unsteady Reynolds Averaged Navier- Stokes

82 Simulation

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83 WWTP – Wastewater Treatment Plant

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84
85 1. Introduction

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86 To comply with global water policy focussed on responsible

87 management of water resources and protection of public health,

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wastewater collected from municipalities and communities
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89 must be treated to achieve levels imposed by discharge permits

90 and maximum daily loads, allowing its subsequent return to

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91 receiving water bodies, or to the land or even to be reused. In

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92 the last century, the application of scientific knowledge and

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93 engineering practice led to significant developments in the

94 wastewater sector, particularly in biological secondary

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95 treatment based on aerobic biological methods, specifically the

96 activated sludge (AS) process (Ardern and Lockett 1914),

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97 which is now a well-documented standard for many wastewater

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98 treatment utilities. The objectives of secondary biological

99 wastewater treatment in the AS process have also expanded

100 from an early emphasis on high levels of Biological Oxygen

101 Demand (BOD) and Total Suspended Solids (TSS) removal to

102 cover enhanced nutrients (N and P) removal, as the process

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103 itself has flexibility and numerous modifications can be tailored

104 to meet specific requirements.

105 Undoubtedly, one of the foremost challenges in the wastewater

106 sector is the successful design and reliable operation of

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107 treatment plant, which guarantee high treatment efficiencies in

108 order to meet the effluent quality standards defined by

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109 regulators, while keeping the investment and operating cost as

110 low as possible (Brouckaert and Buckley 1999, Do-Quang et al.

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111 1999). One of the characteristic features of ASP is continuous

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112 operation of the aeration process and sludge and nitrates
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113 recycling, and thus the process performance relies on a steady

114 energy supply for operation of air blowers and sludge and
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115 mixed liquor recirculation pumps. Aeration accounts for the

116 largest fraction of a total wastewater treatment plant’s (WWTP)

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117 energy bill, ranging from 45 to 75% (Reardon 1995, Rieger et

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118 al. 2006) and in extreme cases of stringent effluent nitrogen

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119 criterion requiring enhanced nitrification, even up to 85%.

120 Thus, aeration has a significant effect on the operation and

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121 maintenance budget of water utilities (WEF 2009). As a

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122 consequence of the global emphasis on the water-energy-food-

123 climate change nexus there is an urgent need to reduce energy

124 usage at WWTPs by imposing cost-effective energy

125 conservation measures, engineering practices and management

126 programs. According to guidelines (EPA 2013, WEF 2009)

127 opportunities for improving energy efficiency in wastewater

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128 treatment utilities can be obtained by optimizing aeration

129 processes or equipment upgrades, which focus on replacing

130 items such as blowers with more efficient models; replacing the

131 whole aeration system with less energy intensive systems (e.g.

132 replacement of the surface aeration system by porous diffusers

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133 in full floor coverage configuration); and operational

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134 modifications, involving reduction of the energy requirements

135 to perform specific functions by modification of the aeration

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136 control systems, e.g. on-off operation allowing formation of the

137 anoxic conditions for denitrification. The last option facilitates

138
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greater savings than equipment upgrades, and may not require
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139 capital investment. Nevertheless, current best available aeration
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140 technology (i.e. membrane diffusers supplied by atmospheric

141 air) are characterized by relatively low Standard Oxygen

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142 Transfer Efficiencies of around 40 up to 60% (EPA 1989,

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143 Mueller et al. 2002, Taricska et al. 2009), which reduce with

144 time as a result of fouling and scaling. Consequently, a wide

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145 range of multidisciplinary approaches contribute to current

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146 research aiming to improve the development, troubleshooting

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147 and management of aeration systems.

148 2. Current Trends in Engineering Practice

149 2.1. Aeration Control and Design Assumptions

150 When investigating performance and energy expenditure of AS

151 plants it is clear that dissolved oxygen (DO) concentration is a

152 key process variable, which controls both, nutrient removal (in

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153 the case of biological nutrient removal plants) and thus effluent

154 quality, and the operating cost of the utility. While operating

155 DO profiles and nitrogen patterns in the AS system are usually

156 obtained from biokinetics modelling with Activated Sludge

157 Model No. 1- ASM1 (Henze et al. 2000) employed by

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158 supervisory control and data acquisition (SCADA) systems, the

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159 robust modelling of the optimization strategies requires

160 implementation of complex computational algorithms and off-

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161 line optimization techniques, which allow for coupling of the

162 biological process with pre-defined control variables such as

163
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minimal DO concentration in the aeration tank or effluent
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164 nitrogen criterion (Åmand and Carlsson 2012, Chachuat et al.
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165 2005, Cristea et al. 2011, De Araújo et al. 2011, Fernández et

166 al. 2011, Fikar et al. 2005, Holenda et al. 2007, Holenda et al.
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167 2008).
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168 Although hydraulic design of wastewater treatment systems is a

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169 crucial step to assure reliable and energy-optimised operation

170 of the process, it is usually labelled as a “low-tech” task, which

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171 is based on empirical guidelines without sound theoretical basis

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172 (Bosma and Reitsma 2007, Pereira et al. 2012, Stamou 2008).

173 Thus, in the majority of designs, flow behaviour in the unit

174 process tanks is predicted via the ideal reactor model while the

175 actual reactor hydrodynamics are not taken into account

176 (Stamou 2008). The classic example for Activated Sludge

177 Plants (ASPs) is the assumption of a completely mixed flow

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178 regime in aerobic, anoxic and anaerobic tanks. Other

179 commonly practised rules of thumb are (Samstag and Wicklein

180 2012, Tchobanoglous et al. 2003) the assumption that in AS

181 basins equipped with diffused aeration systems, the air

182 requirement to ensure good mixing will vary from 1.2 – 1.8 m3

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183 h-1 / m3 of tank volume; and typical power requirements for

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184 maintaining a completely mixed flow regime with mechanical

185 aerators varies from 13 to 26 W per m3 of tank volume. None

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186 of these assumptions consider the impact of tank hydraulics

187 (cross-section, depth or presence of baffles), energy input, or

188
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any variable affecting mixing, such as local density gradients
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189 due to solids transport. Furthermore, none of these guidelines
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190 defines clearly hydraulic features and performance of

191 “completely mixed” wastewater treatment systems. The one

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192 commonly used criterion for “good mixing” in AS process

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193 control is that variations of solids concentration across the

194 complete mixed tank profile should be less than 10% (Samstag
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195 and Wicklein 2014) However, the proper design of such “well
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196 mixed” AS systems requires a sophisticated analysis of flow

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197 behaviour accounting for mixing patterns in the tank,

198 distribution of the oxygen, solids and determination of local

199 densities.

200 3. Dynamic Behaviour of AS Tanks

201 Dynamic modelling of wastewater treatment plants has been

202 shown to be a powerful tool providing detailed insight into the

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203 unit process and system behaviour, useful for optimization

204 studies (e.g. conceptual process design, performance

205 evaluation, operational optimization, or controller design) and

206 model-based process control (Langergraber et al. 2004).

207 Nonetheless, the majority of the ASP design procedures are still

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208 limited to the empirical principles and static models, such as

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209 the ‘classic’ ATV-A-131 guideline (ATV-DVWK 2000), while

210 control strategies are based on a simple or cascade

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211 proportional-integral-derivative (PID) controllers for DO and

212 ammonia. While not often used for design and control of ASP

213
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due to its complexity, the systemic approach based on well-
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214 established ASM models focuses mainly on the reactions of
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215 biochemical conversion within the ideal reactors: usually one or

216 a cascade of Continuous Stirred Tank Reactors (CSTRs) or

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217 Plug Flow Reactor (PFR) (Abusam and Keesman 1999, Le

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218 Moullec et al. 2011, Makinia and Wells 2000, Pereira et al.

219 2009). Such approaches enable only quantitative prediction of

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220 the oxygen consumption and nutrients removal and qualitative

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221 assessment of biomass growth and decay. Nevertheless, as the

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222 overall biochemical conversion reactions occurring in AS are of

223 orders greater than zero, the wastewater treatment efficiency in

224 such non-ideal systems will depend on the bioreactor’s

225 hydrodynamics (Le Moullec et al. 2008), spatial distribution of

226 oxygen, and temperature. Therefore, a more accurate forecast

227 of the actual local scale phenomena occurring within the tank,

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228 (such as DO patterns and solids profiles) is of crucial

229 importance to enhance system design, process efficiency and

230 energy requirements, to predict failures of existing aeration

231 systems and finally, to design upgrades and enhance control

232 strategy, such as fine-tuning blower operation.

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233 The physics of typical AS systems is complex, not only due to

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234 presence of the multiphase (gas-liquid-solid) flow, comprising

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235 mixed liquor and air/oxygen, but also due to the different

236 length scales between the sludge flocs, bubbles and tank

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237 geometry; and furthermore, different velocities of the phases
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238 imparted by mixers and aerators yielding turbulent Reynolds

239 numbers (Karpinska Portela 2013, Pereira et al. 2012). The

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240 fluid flow in such bioreactors is governed by the vessel

241 geometry, physical properties of its contents (phase, density,

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242 viscosity) and operating condition variables (flow rates and

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243 concentrations). At the same time, fluid flow governs the local
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244 concentration of components, interphase contact and mass

245 transfer, reaction conversions and performance (Nopens and

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246 Wicks 2012).

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247 In engineering practice, whilst assessment of the flow regime,

248 and thus overall mixing phenomena in AS bioreactors, can be

249 achieved via experimental assessment of local flow velocities

250 through a tracer technique, the dimensions of full scale units

251 generally render this unfeasible (Pereira et al. 2012, Stamou

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252 2008), making simulation an attractive alternative. Several

253 factors contribute to the increasing popularity of modelling in

254 engineering practice, as it is a cost and time efficient solution,

255 which allows evaluation of process performance (whether a

256 new unit or modification will operate properly); prediction of

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257 consequences before implementation; isolation and

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258 quantification of bottlenecks in liquid or solid handling lines in

259 the AS system. Thus, prediction of Residence Time

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260 Distributions (RTDs) of settled sewage is a fundamental tool to

261 help understand and analyse a flow system providing realistic

262
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information on tank hydrodynamics (Danckwerts 1953,
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263 Levenspiel 1999, Nauman 2007). Furthermore, the RTD yields
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264 information about the macromixing within the reactor, allowing

265 recognition of mixing behaviours that are not plug flow or

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266 complete mixing regimes, and that are usually described by

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267 tank-in-series models or even more complex arrangements of

268 the unit reactors (Pereira et al. 2012). Consequently, successful

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269 biological wastewater treatment modelling combining

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270 hydrodynamics, mass transfer and biochemical reactions

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271 kinetics remains one of the major goals in wastewater

272 engineering (Le Moullec et al. 2010a, b, Morchain et al. 2014,

273 Pereira et al. 2012).

274 4. Computational Fluid Dynamics

275 Since the 1970s, increasing computational power has been

276 accompanied by a rapid development in the software intended

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277 for solution of fluid flow problems. Nowadays, a wide range of

278 software suites intended for the solution of complex fluid flow

279 problems is commercially available. Initially, CFD was almost

280 exclusively associated with aerospace and mechanical

281 industries allowing simulation of the processes occurring in

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282 combustion chambers of rocket engines; physico-chemical

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283 processes in the flow around rocket airframe and supersonic

284 aircrafts. Subsequently CFD found applications with chemical

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285 engineers, mainly for design of reaction vessels, and in the last

286 two decades, application of CFD has been extended to the civil

287
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and environmental engineering sectors (Kochevsky 2004).
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288 Recent developments in multiphase flow research have seen a
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289 steady growth in the application of CFD modelling in

290 wastewater treatment, with a focus on the design of pumping

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291 stations, headworks, screens, grit chambers, flow splitters, AS

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292 tanks, clarifiers and digesters. Undoubtedly, one of the great

293 opportunities of CFD modelling of ASPs is the analysis of the

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294 multiphase flow behaviour and prediction of the impact of a

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295 wide range of operating parameters on the local scale

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296 phenomena, such as flow field coupled with interfacial mass

297 transfer and chemical reaction. In addition to that, CFD has

298 gained popularity over traditional wastewater treatment

299 modelling approaches, as it is a high-precision technique

300 allowing evaluation of the engineering systems, which are

301 expensive, difficult or even dangerous to reproduce in

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302 laboratory-scale, pilot-scale or field conditions. Therefore,

303 CFD-aided modelling can be used as a robust tool for the

304 design of a new facility or the optimization or retrofitting of

305 existing ASPs, leading to enhanced performance and energy-

306 optimised operation of the utility, facilitating time, economic

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307 cost and manpower savings (De Gussem et al. 2014, Do-Quang

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308 et al. 1999, Essemiani et al. 2004, Guimet et al. 2004, Laurent

309 et al. 2014).

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310 4.1. Hydrodynamics – RANS and URANS

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311 Various options exist for the numerical simulation of the
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312 turbulent flow with CFD codes.

313 In most engineering practice, time-averaged properties of the

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314 flow are able to provide the required information. Steady

315 Reynolds Averaged Navier-Stokes (RANS) simulations and

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316 unsteady RANS (URANS) focus on the representation of the

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317 effects of turbulence on the mean flow properties by solving

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318 transport equations for the averaged flow quantities with whole

319 range of the turbulent scales being modelled. Thus this

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320 modelling approach greatly reduces required computational

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321 effort and resources, and is widely adopted for practical

322 engineering applications, including the wastewater sector

323 (Karpinska Portela 2013).

324 In RANS and URANS the flow patterns within the AS tank are

325 obtained from the solution of nonlinear partial differential

326 equations, expressing balances of mass and momentum.

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327 Therefore, the flow is governed by the following mass

328 conservation equation:

.'
=0
. 
(1)

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329 and momentum conservation equation, which for RANS is:

RI
. .̅ . . . 2 .
1'  2 = − + 5% 6 + − 9 :;
.  .  .  .  .  3  . 

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.
+ <−'  =
(2)

. 

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330 and for time dependent, transient flow (URANS) is:
M

.̅ .
+ 1'  2
. . 
D

.̅ . . . 2 .

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=− + 5% 6 + − 9 :;
.  .  .  .  3  .  (3)

.
EP

+ <−'  =
. 
C
AC

331 where ̅ is the averaged pressure field, ' and % are the fluid

332 density and viscosity, respectively,  is the time, ,  and 

333 are the spatial coordinates,  ,  and  are the velocity

334 components and 9 is the Kronecker delta.

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335 Here, the turbulent mean velocity field is described by

336 Reynolds decomposition of the velocity using time averaged

337 term, ̅ , and a fluctuating term,  :

 = ̅ + (4)

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338 RANS and URANS equations are linearized and solved. The

339 flow structures originating from the momentum transfer by the

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340 fluctuating velocity field, which are smaller than the numerical

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341 grid discretization and represented by the term −'  ,

342 namely Reynolds stresses, are unclosed, and thus they must be

343 modelled.
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344 Turbulence models
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345 The principal turbulence models included in popular

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346 commercial CFD software suites, which are used for Reynolds
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347 stresses closure are: standard, renormalized group (RNG) and

348 realizable
− $ models; standard and shear stress transport
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349 (SST)
− ( models; and Reynolds stress model (RSM)
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350 (Bridgeman et al. 2009).

The two-equation models (i.e.

− $ and
− (), solve
AC

351

352 additional transport equations for two turbulence quantities:

353 velocity scale- turbulent kinetic energy,

, and turbulence

354 length scale- either its dissipation rate, $, or the specific

355 frequency, ( (Pope 2000). From among the two-equation

356 models, the standard

− $ (>
− $) has found the broadest

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357 range of applicability in both, academia and industrial sectors,

358 due to its robustness, relatively low computational requirements

359 and satisfactory accuracy. The characteristic feature of all two-

360 equation models is that modelling of the Reynolds stresses

361 employs the Boussinesq hypothesis relating these stresses to the

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362 mean deformation rates and thus mean velocity gradients, and

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363 assuming locally isotropic turbulence (Rodi 1993):

. . 2 .

−'  = %& 6 + : − ?'
+ %& @9

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.  .  3 .  
(5)

where %& is the turbulent viscosity computed as a function of

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364

and $:
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365

C
M

%& = 'AB
$
(6)
D

366 where AB is a model constant (variable function in a different

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367 turbulence model).

A comprehensive description of the >

− $ and the relatively
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368

369 recently developed improved models, namely Renormalized

C

370 Group (RNG)

− $ and realizable
− $, can be found in the
AC

371 literature (Launder and Spalding 1974, Orszag et al. 1996, Shih

372 et al. 1995).

373 The second widely used two-equation model, introduced by

374 Wilcox, is the

− ( model, also based on the isotropic eddy

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375 viscosity hypothesis described by Equation (5), but where the

376 turbulent viscosity is computed as a function of

and (.

377 Knowing, that ( = $ ⁄

, Equation (6) takes the following form:

%& = '" ∗
(
(7)

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378 where " ∗ is a coefficient related to the use of functions

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379 damping the turbulent viscosity causing a low-Reynolds-

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380 number correction.

381 Contrary to the

− $ model, the standard
− ( model uses

382
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enhanced wall treatment to solve low-Re-number flows in the
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383 viscous layer in near-wall region. Its improved variant, SST

384
− ( model, considered to be the most accurate from two-
M

385 equation eddy viscosity models, provides modified turbulent

D

386 viscosity formulation which account for the transport of the

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387 principal turbulent shear stress. A wider discussion on the

388 standard and SST

− ( models can be found in Wilcox
EP

389 (Wilcox 1998, Wilcox and Traci 1976) and Menter (Menter

390 1993, 1994).

C

391 The Reynolds Stress Model (RSM) (Launder et al. 1975,

AC

392 Versteeg and Malalasekera 1995) is the most elaborate and

393 complex turbulence model, referred as the Second Order

394 Closure. In RSM the isotropic eddy viscosity hypothesis is

395 discarded and the RANS equations are closed by solving

396 transport equations for the Reynolds stresses, together with an

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397 equation for the dissipation rate, yielding seven additional

398 transport equations to be solved in a 3D scheme. A detailed

399 description of the RSM turbulent closure development can be

400 found in the literature (Launder et al. 1975), whilst a

401 summarised description of the turbulence models commonly

PT
402 used for RANS closure has been summarized in Table 1

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403 (Bridgeman et al. 2009).

U SC
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C EP
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404 Table 1. Comparison of turbulence models used in ASP modelling. Adapted from Bridgeman et al. (2009) with permission from Taylor &
405 Francis Ltd (www.tandfonline.com/)

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Model Comments Advantages Disadvantages
Standard E − F • Semi-empirical modelling of
and $. • Simplest and complete turbulence • Poor performance in some
(GE − F)

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• Valid only for fully developed turbulent flow model. scenarios (strong streamline
cores (molecular diffusion ignored). • Excellent performance for many curvature, vortices, rotating flows,
flows. flow separation, adverse pressure

SC
• Well established in academia and gradients).
industry. • Assumes locally isotropic
• Robust, economic in terms of turbulence.

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computational effort and satisfactory • Poor prediction of the lateral

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accuracy in diverse turbulent flow expansion in 3D wall jets.
issues.

• Less stable than >

− $.

M
Renormalized • Based on the statistical methods, not observed • Improved performance for swirling
E−F >
− $.
Group (RNG) fluid behaviour. and high-strained flows compared to
•

D
Mathematics is highly abstruse. Texts only quote
model equations which result from it.

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• Effects of small-scale turbulence represented by
means of random forcing function in Navier-
Stokes equations.
EP
• Procedure systematically removes small scales of
motion by expressing their effects in terms of

Similar in form to >

− $, but modified $
larger scale motions and a modified viscosity.
C

•
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Differential equation solved for %& (changes AB

equation to describe high-strain flows better.
•
from 0.09 to 0.0845 at high Re).

406

23
 ACCEPTED MANUSCRIPT

407 Table 1. (Continued).

Model Comments Advantages Disadvantages

Realizable E − F

PT
• Recent development. In highly strained flows, • Suited for planar and rounded jets, • Not recommended to use with

(unrealizable condition), so %& uses variable AB .

the normal Reynolds stresses become negative swirling and separating flows and multiple reference frames.

• AB is function of local strain rate and fluid

wall-bounded flows with strong

RI
adverse pressure gradients.
rotation.

SC
• Different source and sink terms in transport
equations for eddy dissipation.
• Good for spreading rate of round jets.

U
Standard E − H • Specific dissipation rate is ( = $/
. • Valid throughout to boundary layer, • Pressure induced separation is
• >
− $ solves for dissipation of turbulent kinetic

AN
energy,
− ( solves for rate at which
subject to fine grid resolution. typically predicted to be excessive
• Accounts for the stream-wise and early.

M
dissipation occurs. pressure gradients.
• Resolves near wall region without wall functions • Applicable for detached, separated
so can be applied through boundary layer. flows and fully turbulent flows.

D
• As
− ( except from gradual change from • The most accurate from two- • Less suitable for free shear flows.

− ( to inner region of boundary layer to high
Shear Stress

E − H Re version of >
− $ in outer part.
TE
Transport (SST) equation eddy viscosity models.
• Suitable for adverse pressure
• Modified %& formulation to account for transport gradients and pressure-induced flow
EP
effects of principal turbulent shear stresses. separation.
• Accounts for the transport of the
C

principal shear stresses.

AC

408

409

410

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 ACCEPTED MANUSCRIPT

411 Table 1. (Continued).

Model Comments Advantages Disadvantages

PT
Reynolds Stress • The most general and complex of all models • Accurate calculation of the mean • Computationally expensive.
Model (RSM) solving transport of the Reynolds stresses- so flow properties and all Reynolds • Not always more accurate than
called seven-equation model stresses. two-equation models.

RI
• Isotropic eddy viscosity hypothesis is • Accounts for the streamline • Harder to obtain converged result.
discarded. curvature, rotation and rapid • Reliability of RSM predictions are

SC
changes in strain rate yielding still limited by the closure
superior results to two-equation assumptions employed to model
models for complex flows, e.g. pressure-strain and dissipation-

U
with stagnation points. rate terms.

AN
412

M
413

D
414

TE
C EP
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415 4.1.1. Alternative approaches - LES and DNS

416 Large Eddy Simulation (LES) is an alternative approach in

417 hydrodynamic modelling where large, three-dimensional

418 unsteady scale motions affected by the flow geometry, i.e. large

PT
419 eddies, are directly and explicitly solved in time-dependent

420 simulation using space-filtered Navier-Stokes equations. LES is

RI
421 one of the most expensive simulation options and requires

SC
422 a refined grid to accurately resolve eddies in the boundary

423 layer. A filtering operation, analogous to the Reynolds

U
424 decomposition in RANS, is based on the decomposition of the

velocity into the resolved (filtered) component ̅ J , K and the

AN
425

426 residual, so called subgrid-scale (SGS) component   J , K

M

427 (Pope 2000). The accuracy of the LES model is the result of
D

428 modelling only the SGS motions- the smallest eddies, which

429 tend to have more universal properties (Karpinska Portela

TE

430 2013). The model commonly used to model small eddies is the
EP

431 Smagorinsky SGS model (Smagorinsky 1963).

432 LES has been most successful for high-end applications where
C

433 the RANS models fail to meet the required goals, e.g.
AC

434 modelling of combustion and mixing. Although it provides

435 improved accuracy, wide application of LES approach to solve

436 flow related issues is still limited due to the large mesh

437 requirements and high computational costs.

438 Direct Numerical Simulation (DNS) is a high-fidelity tool

439 offering the explicit solution of the whole range of turbulent

26
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440 time and length scales, from the Kolmogorov scales to large

441 motion scales transporting most of the kinetic energy within the

442 domain (Orszag 1970). As a result, the computational cost of

443 DNS is extremely high even at low Reynolds numbers,

444 preventing this approach from being used as a general-purpose

PT
445 design tool, and making it impractical for most industrial flow

RI
446 conditions, especially large multiphase AS systems. Hence the

447 CFD modelling of the AS tanks requires more computationally

SC
448 efficient and thus simplified methods.

U
449 4.2. Multiphase Modelling
AN
450 A robust understanding of the physics and biochemical

451 processes in the gas-liquid-solid environment of the AS tank

M

452 relies on accurate assessment of the transport phenomena and

453 character of interactions between the phases. Numerical

D

454 simulation of the multiphase flow in AS system is usually

TE

455 enabled by Euler-Euler or Euler-Lagrange approaches. Table 2

EP

456 outlines the relevant characteristics of the multiphase models

457 used in modelling of the AS systems.

C

458 In Eulerian (Eulerian-Eulerian or two-fluid) model, the phases

AC

459 are treated mathematically as separate and interpenetrating

460 continua, hence the introduction of the phasic volume fractions-

461 " . The sum of volume fractions is equal to unity

27
 ACCEPTED MANUSCRIPT

L " = 1 (8)
NO

462 Each phase is governed by a set of continuity and momentum

463 conservation equation, which have similar structure for all

PT
464 phases. Thus, considering Q-phase system, the mass

conservation equation for phase  is (Joshi 2001, Ratkovich

RI
465

466 2010):

SC
M
.
1" ' 2 + ∇1" ' S 2 − L1 −  2 = 0
.  
U
(9)
NO
AN
467 where ' is density and the term " ' is the effective density
M

468 of the phase , S denotes its velocity,  and  are mass

transfer mechanisms from phase  to  and from  to ,

D

469
TE

470 respectively.

471 The generalized momentum conservation equation for phase 

EP

472 can be written in the simplified form as (Azzopardi et al. 2011,

C

473 Ratkovich 2010):

AC

.
1" ' S 2 + ∇1" ' S S 2
.   

= −" ∆ + ∇% 1∇" S + ∇" SU 2 + ' VS

(10)

+ S

28
 ACCEPTED MANUSCRIPT
474 where  is pressure shared by all phases, % denotes shear

475 viscosity of phase , S represents the sum of interfacial forces

476 between the continuous and dispersed phases.

477 Considering gas-liquid system, the fluid flow around the

PT
478 bubbles is characterized by the occurrence of relative motion

479 between the phases yielding local pressure and shear stress

RI
480 gradients. As a result, relative motion of the bubbles will be

SC
481 affected by a drag force which is predominant in conditions of

482 the uniform flow. In case of non-uniform bubble motion, the

concept of interfacial forces S needs to account for drag and

483
U
AN
484 various non-drag forces, such as virtual mass force, lateral lift

485 force, wall lubrication force, turbulent dispersion force, Basset

M

486 force and momentum transfer associated with mass transfer.

D

487 Accordingly, the closure of Equation (11) requires correct

TE

488 assessment of the interfacial forces, typically using analytical

489 models, empirical correlations and coefficients (e.g. drag

EP

490 coefficient), described comprehensively in Clift et al. (1978),

491 Joshi (2001), Azzopardi et al. (2011) and Yang and Mao
C

492 (2014). Many of these relations are case-specific and based on

AC

493 limited data what yields difficulties in exploring complex

494 multiphase systems (Azzopardi et al. 2011, Manninen et al.

495 1996) and influencing the outcomes of the CFD simulations.

496 The Eulerian model is commonly used in multiphase systems,

497 where momentum exchange between the phases is significant,

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498 e.g. gas-liquid flow in aeration tanks or solid-liquid flow in AS

499 systems, especially in the case of zones with high solids

500 concentrations, where solid-solid interactions are relevant;

501 transitional zones with steep solids concentrations gradients

502 (from high to low concentration), where momentum of the solid

PT
503 phase is relevant to model its dissipation (Samstag et al. 2015).

RI
504 The Volume of Fluid (VOF) model is a single-fluid approach

SC
505 based on a surface tracking technique that solves the

506 momentum equations for the continuous phase while the

U
507 dispersed phase follows the closure conditions of the volume
AN
508 fraction for the incompressible flow (Wang et al. 2013). While

509 the phases are immiscible, the fields for all variables and
M

510 properties are shared and represented by volume-average

511 values. Therefore, the continuity equation has the following

D

512 form (Ratkovich 2010, Vedantam et al. 2006):

TE

."
+ ∇1" S 2 = 0
.
(11)
EP

513 where the computation of the primary-phase volume fraction is

C

514 based on the constraint defined by Equation (9).

AC

515 The single momentum equation, which is solved throughout the

516 domain yielding velocity field shared by the phases, is

517 expressed as:

30
 ACCEPTED MANUSCRIPT

.
J'SK + ∇J'SSK = −∆ + ∇W%J∇S + ∇S U KX + 'VS + S (12)
.

518 The properties ' and % appearing in the transport equations are

519 determined by the presence of the component phases in each

control volume. Considering two-phase ( and ) system if the

PT
520

521 volume fraction of phase  is being tracked, the density in each

RI
522 cell is given by (Ratkovich 2010, Vedantam et al. 2006):

' = " ' + 11 − " 2'

SC
(13)

U
523 The relationship described by Equation (13) is based on the

fact, that for an Q-phase system, the volume-fraction-averaged

AN
524

525 density is
M

' = L " ' (14)

D

All other properties (e.g volume-fraction-averaged viscosity, %)

TE

526

527 are computed in the same manner.

EP

528 VOF is designed for modelling multiphase systems where the

C

529 position of the interface between the immiscible fluids is of

AC

530 interest. This approach has found application in modelling of

531 stratified and free-surface flows, filling, sloshing, and motion

532 of large bubbles (slug flow). Examples of VOF application to

533 model Membrane Bioreactors (MBRs) can be found in the

534 literature (Andersson et al. 2011, Ratkovich et al. 2009, Wang

535 et al. 2013).

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536 The Eulerian-algebraic (slip mixture or algebraic slip) model is

537 a simplified multiphase model used for two or more phases,

538 treated as interpenetrating continua. This single-fluid approach

539 can be used to model phases moving at different velocities- by

540 using concept of slip (or drift) velocities.

PT
541 Here, the continuity and momentum equations are solved for

RI
542 the mixture and algebraic equations are used to solve relative

SC
543 velocities to describe the dispersed phases. Thus, the continuity

544 equation for the mixture is (Manninen et al. 1996):

.'
. U
+ ∇J' S K = 0 (15)
AN
545 where the mixture density, ' is defined as:
M

' = L " '

D

(16)
NO
TE

546 and the mass-averaged mixture velocity S is:

EP

M
1
S = L " ' S
'
(17)
NO
C

The mass fraction of phase  is defined as:

AC

547

" '

 =
'
(18)

548 The momentum equation for the mixture is obtained from the

549 following formula (Ratkovich 2010):

32
 ACCEPTED MANUSCRIPT

.
J' S K + ∇J' S S K
.  

= −∆ + ∇W% J∇S + ∇S

U KX
+ ' VS + S

M
(19)

+ ∇ YL " ' S, S, Z

NO

PT
where % is mixture viscosity equal to:

RI
550

SC
M

%  = L " %  (20)
NO

U
and S, is drift velocity for the secondary phase  expressed
AN
551

552 as follows:
M

S, = S − S (21)

D

553 The slip velocity of the secondary phase (K relative to the
TE

554 velocity of the primary phase (K is computed as follows:

S = S − S

EP

(22)
C

555 The relation between drift and slip velocities can be written as:
AC

S, = S − L
 S (23)

NO

556 The basic assumption of the algebraic slip mixture model is that

557 a local equilibrium between the phases should be reached over

558 a short spatial length scale. For the phases moving with the

33
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559 same velocity, the mixture approach can be used to model

560 homogeneous multiphase flow (Manninen et al. 1996, Wicklein

561 and Samstag 2009). However, this approach is usually not

562 recommended in cases when the interface laws are not well

563 known (Ratkovich 2010). This model has been successfully

PT
564 used to simulate sediment-induced density currents, and thus

RI
565 solid-liquid mixing in AS tanks, and turbulent transport of

566 suspended solids in secondary clarifiers (Samstag et al. 2015,

SC
567 Wicklein and Samstag 2009, Yeoh and Tu 2009), but also a

568 gas-liquid turbulent flow in closed loop bioreactors (Xu et al.

569 2010, Yang et al. 2011).

U
AN
570 Another method to deal with multiphase flow in AS systems is
M

571 via the modelling of turbulent transport of the secondary phase

572 within a continuous primary phase. The transported phase

D

573 (species) is treated as an active or passive scalar (density,

TE

574 viscosity, temperature, dissolved oxygen or solids), hence the

EP

575 effects of its gradients across the domain can be either coupled

576 to the momentum equation as an equation of state or treated as

C

577 a passive property transported by the fluid flow.

AC

578 Therefore prediction of local mass fraction of each species, ! ,

579 is modelled by solving conservation equation describing

580 convection and diffusion of the ′-th species (Cartland Glover et

581 al. 2000):

34
 ACCEPTED MANUSCRIPT

.
J'! K + ∇J'S! K = −∇S +  + 
.
(24)

582 where S is the ′-th diffusive mass flux of species;  is net

583 rate of production of ′-th specie due to chemical reaction;  is

the source term which injects ′-th specie into the domain by

PT
584

585 addition from the dispersed phase plus any user-defined

RI
586 sources.

SC
587 The active/passive scalar approach is used to model solid-liquid

588 interactions in the systems with lower solids concentrations

589
U
(Combest et al. 2011, De Clercq 2003, Samstag et al. 2015,
AN
590 Wicklein and Samstag 2009) and to model oxygen mass

591 transfer in aerated tanks (Fayolle et al. 2007).

M

592 In the Lagrangian model, the governing phase (fluid) is treated

D

593 as a continuum by solving time-averaged Navier-Stokes

TE

594 equations (Eulerian reference frame), while the behaviour of

EP

595 secondary phase (e.g. solids) is predicted by tracking a large

596 number of particles using random-walk Lagrangian trajectory

C

597 calculations for dispersed phase through the flow field of the
AC

598 continuous phase. Here, the particles can exchange momentum,

599 mass, and energy with the fluid phase. The particles’

600 trajectories are predicted by integrating the force balance on the

601 single particle and recording the particle position. This force

602 balance, which equates the particle inertia with the forces

603 acting on it is defined as (Bridgeman et al. 2009):

35
 ACCEPTED MANUSCRIPT

.S S − S VSJ' − 'K

= + + S
.  '
(25)

604 where S is particle velocity and S is fluid phase velocity, the

\S][
[ \S^
605 term _`
represents drag force per unit particle mass,  is

particle relaxation time, ' and ' are particle and fluid

PT
606

densities, respectively; and S relates to additional forces that

RI
607

608 are relevant under special circumstances; for example virtual

SC
609 mass and pressure gradient forces, or forces on particles that

610 arise due to rotation of the reference frame.

611
U
Additionally, particle-particle interactions, such as collisions
AN
612 and momentum exchange can be enabled through the
M

613 introduction of drag coefficients (Bridgeman et al. 2009,

614 Karpinska Portela 2013). This approach is suitable to simulate

D

615 gas-liquid flow in aeration tanks, however should not be used

TE

616 when the volume fraction of the secondary (particulate) phase

617 exceeds 10-12% (Sokolichin et al. 1997), as e.g. solid-liquid

EP

618 flow in complete mixed AS systems.

619 Apart from multiphase modelling, particle tracking within the

C
AC

620 Lagrangian reference frame is a useful tool to simulate RTDs in

621 process tanks (Danckwerts 1953, Levenspiel 1999), and so to

622 assess the macromixing, established by convective flow

623 patterns (Karpinska Portela 2013, Le Moullec et al. 2008).

624 However, the main limitation here is the number of particles

625 being tracked within the simulated system, and in the case of a

36
 ACCEPTED MANUSCRIPT
626 full-scale AS tank, tracking too many particles will result in

627 extensive computational times. Thus, when comparing

628 workability of different approaches in multiphase modelling,

629 the Lagrangian approach is the most expensive, involving long

630 computational times and requiring a large number of CPUs

PT
631 (Central Processing Units), so limiting its popularity in the

RI
632 simulation of wastewater treatment tanks.

633

SC
634

U
AN
M
D
TE
C EP
AC

37
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635 Table 2. Summary of approaches to multiphase modelling.

Model Concept Modelling Applicability Issues

Eulerian Each phase A set of averaged, Theoretically, Additional terms’

modeled as a volume fraction- every type of modelization is
separate weighted Navier- flow; depending determinant, but
fluid. Stokes (NS) on the additional their modelling is
equations per terms’ difficult.

PT
phase. Momentum modelization.
transfer terms and
constitutive

RI
equations to be
modelled.

SC
VOF Each phase Interface tracked Flows where the Inapplicable if the
modeled as a via a continuity interphase surface interphase surface
separate equation and the is clearly defined is too complex (e.g.
fluid. The domains of the (e.g. a single, bubbly flow where

U
interface single phases are large bubble bubble dimensions
between the defined. A set of inside a liquid). are smaller than
AN
phases is phase-specific NS single cell size).
tracked. equations with
momentum
M

exchange terms is
solved for each
domain.
D

Mixture Both phases Single set of NS Homogeneous Inapplicable in

TE

treated as a equations. fluids or non- every case in which

whole. homogeneous there is clear
Effective mixture
fluids that are distinction between
density and
viscosity to be treated as the phases.
EP

homogeneous.
modelled.

Eulerian- Liquid phase A set of averaged Flows where at Computational

C

Lagrangian treated with NS equations for least one phase is expense not a priori
Eulerian the liquid phase. A clearly dispersed computable, and
AC

approach. set of Newton’s 2nd into a principal proportional to the

Every Law (N2L) phase. Particles particles number.
particle equations applied smaller than mesh May be prohibitive
(bubble) to all particles. cell size. for high particle
tracked along Momentum numbers.
trajectory. transfer terms in
both NS and N2L
to be modeled.
636

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637 5. Application of CFD in ASP

638 Biological wastewater treatment systems require enhanced

639 transfer of oxygen into the AS tanks to maintain aerobic

640 processes occurring in biodegrading-nitrifying biomass.

PT
641 Enhanced oxygen mass transfer in most common ASP

642 configurations i.e. channel or closed-loop bubbly flow AS

RI
643 reactors aerated by diffusers, can be achieved by maximisation

SC
644 of the surface area of the interface between the dispersed phase

645 (air/oxygen bubbles) and the continuous phase (mixed liquor).

U
646 Nonetheless, in most wastewater utilities, designs of AS tank
AN
647 and aeration system, and furthermore process control are based

648 on static models and simple PID controllers, and so a major

M

649 concern remains the accurate determination of tank

650 hydrodynamics and its impact on DO profiles within the basin.

D

651 Therefore, improvement of biochemical conversion

TE

652 efficiencies, hydraulic and process design, and reliable

EP

653 operation of AS systems rely on an improved understanding of

654 the bioreactors’ behaviour, with emphasis on micro- and

C

655 macro-scale mixing and, in particular, on the analysis of the

AC

656 interactions between the mixed liquor circulation imparted by

657 mechanical agitation and the fluid and sludge flocs motions

658 induced by the air bubbles. The key advantage of CFD as a

659 virtual modelling technique is powerful visualization capability

660 allowing detailed characterization of the local-scale phenomena

661 in varying operating conditions. Hence, CFD can be used as a

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662 robust tool for the design of either new efficient and energy

663 optimised unit processes at WWTPs or for “tune for benefit”

664 optimization of performance and even retrofitting of existing

665 AS systems.

PT
666 The complete CFD simulation of a biologically active gas-

667 liquid-solid AS system is challenging, due to the complex

RI
668 hydrodynamics and biochemical reactions of conversions

SC
669 involved, resulting in massive computational resources required

670 in terms of RAM and CPU usage and with long computational

U
671 times involved. Furthermore, increasing complexity of the
AN
672 model involved, mesh resolution and solution accuracy may

673 lead distinctly higher costs of the CFD analysis, yet lower than
M

674 a capital investment in a new layout. To avoid overly long and

675 complex CFD runs (Karpinska Portela 2013, Le Moullec et al.

D

676 2010b), common engineering practice has been to model the

TE

677 AS processes separately (e.g. aeration system performance or

EP

678 flow field within the basin) and afterwards to couple the results

679 (Pereira et al. 2012). In addition to that, depending on the

C

680 purpose of the CFD analysis, data collection for model

AC

681 calibration and validation using advanced measurement

682 techniques, may be absolutely required and yet time and

683 resource consuming (Nopens et al. 2012).

684 It is worth mentioning, that despite the current successful

685 spread and usage of CFD modelling, potential risk of its misuse

40
 ACCEPTED MANUSCRIPT
686 due to poor model choice, wrong setup assumptions or

687 interpretation of the results, has been also recognized (Nopens

688 et al. 2012).

689 5.1. Development of New Aeration Devices

PT
690 CFD simulations have been used as a high-tech design tool in

691 the development of new aeration devices and optimisation of

RI
692 their spatial arrangement in wastewater treatment tanks.

SC
693 A computationally inexpensive modelling procedure, based on

694 3D steady-state and single-phase flow simulations with the

>
− $ turbulence model was used by Morchain et al. (2000) to

U
695
AN
696 study the impact of the spatial distribution of the cross-flow

697 hydro-ejectors on the recirculation and the oxygen mass

M

698 transfer in a large tank for wastewater treatment. Although the

699 cross-flow hydro-ejectors generate two-phase flow, it was

D

700 shown experimentally that the momentum transfer is not

TE

701 significantly affected by the presence of bubbles and thus the

EP

702 velocity field could be obtained using a single-phase model,

703 while the oxygen transfer in the tank was enabled by the
C

704 introduction of transport species.

AC

705 The same single-flow modelling scheme was applied to modify

706 geometry and operating scenarios of a curved blade mechanical

707 aerator intended for use in oxidation ditches (Bhuyar et al.

708 2009). The results, which were in good agreement with the

709 experimental data, allowed optimization of blade design and

710 the aerators’ submergence, and reductions to rotational speed

41
 ACCEPTED MANUSCRIPT
711 range, yielding enhanced aeration efficiencies when compared

712 with conventional mechanical devices.

713 Despite higher computational costs, transient gas-liquid

714 simulations involving URANS with the >

− $ turbulence

PT
715 model and one of the Euler-Euler multiphase models have

716 found applications in the development of new aeration

RI
717 techniques, as they provide direct and more accurate analysis of

SC
718 the multiphase reactor systems. Xu et al. (2010) simulated an

719 oxidation ditch equipped with cylindrical airlift aerators. Here

U
720 the CFD simulations of the fluid flow in an airlift oxidation
AN
721 ditch served to verify the feasibility of the preliminary design

722 and to assess its applicability for municipal wastewater

M

723 treatment. The results from the simulations (which were

724 validated in a bench-scale ditch) emphasized the suitability of

D

725 the proposed aeration system for deep tank ditch

TE

726 configurations.
EP

727 Karpinska Portela (2013) used CFD to focus on overcoming

728 oxygen transfer efficiency limitations of membrane diffusers

C

729 via the introduction of an independent external aeration unit,

AC

730 designed as a continuous flow component included in the

731 mixed liquor recirculation loop. Similar to the previous work,

732 CFD simulations of aeration within several device

733 configurations provided an excellent design tool for selection of

734 the most efficient geometry, characterized by the highest value

42
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735 of SOTE. The aeration process parameters determined from

736 pilot-scale aeration tests matched the predictions obtained from

737 the CFD simulations.

738 A more detailed description of the CFD approaches used in the

PT
739 development of aeration devices is shown in Table 3.

740

RI
741

U SC
AN
M
D
TE
C EP
AC

43
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742 Table 3. CFD studies of new aeration devices.

Author Code Device Scale Dim. Turbulence Extra Validation

model model


>
− $
Bhuyar et Fluent Curved Lab 3D RANS + Transport
al. (2009) blade species + measurements
mechanical chemical

PT
aerator reaction

>
− $
Xu et al. Fluent Airlift Lab 3D URANS + Mixture Particle
(2010) aerator Dynamic

RI
Analysis
(PDA)

SC
>
− $
Karpinska Fluent Pressurized Lab 3D URANS + Mixture
Portela Aeration measurements
(2013) Chamber

U
743
744
AN
745
746
M

747
748
D

749
TE

750
751
752
EP

753
754
C

755
AC

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756 5.2. Evaluation of the performance of the existing aeration

757 systems

758 Robust and energy efficient operation of complex AS reactor

759 systems relies on an understanding of the multiphase nature of

PT
760 the AS tank and on the assessment of the impact of the aeration

761 system on the mixing, biological treatment efficiency and

RI
762 associated energy expenditure, while taking into account the

SC
763 number, type and spatial distribution of the aeration and mixing

764 devices. This section considers CFD approaches used to

U
765 determine the dynamic behaviour of aeration tanks, and for
AN
766 which descriptions are summarized in Table 4.

767 5.2.1. Gas-liquid Models

M

768 When considering fluid flow within an aeration tank, the use of
D

769 gas-liquid CFD models enables relatively fast and

TE

770 straightforward prediction of the multiphase velocity field

771 induced by the aerators and mixers, bubble sizes and local gas
EP

772 hold-up, i.e. process parameters that have significant impact on

773 the oxygen mass transfer in bioreactors, but either require time-
C

774 and resource-expensive experimental techniques or are not

AC

775 taken into account in the analysis of the experimental results

776 (Fayolle et al. 2007, Gillot et al. 2005, Gillot and Héduit 2000,

777 Le Moullec et al. 2008, Vermande et al. 2007).

778 Hence the focus of early CFD works was on a better

779 understanding of mass transfer phenomena in full scale closed-

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780 loop aeration tanks equipped with membrane diffusers and

781 agitated by means of horizontal slow speed impellers (Cockx et

782 al. 2001, Do-Quang et al. 1999). 2D two-phase flow in the

783 aeration tank was simulated using an Eulerian model for

784 imposed, constant gas bubble size. To simplify numerical

PT
785 simulations, an equivalent uniform liquid velocity field was

RI
786 imposed in the section of the impellers. The oxygen mass

787 transfer was obtained via introduction of the global volumetric

mass transfer coefficient,  , determined experimentally, as a

SC
788

789 transport source term. Here, the correct estimation of the

790
U
absolute values of oxygen transfer requires assessment of the
AN
791 most uncertain aeration process parameter, i.e. the alpha-factor,
M

792 quantifying the impact of the contaminants and process

793 conditions on the oxygen transfer rates- in this work- the

D

794 impact of the imposed constant bubble diameter on the gas-

TE

795 liquid interface surface area (Nopens et al. 2015, Rosso et al.

796 2011, Rosso and Stenstrom 2006).

EP

797 The results from the simulations showed that the

C

798 hydrodynamics of these tanks was controlled by mutual

AC

799 competition between vertical gas plume and horizontal fluid

800 flow currents. Thus, in the absence of the horizontal flow

801 motion, the interactions between gas plumes released by

802 diffusers generate vertical, massive liquid loop circulations, i.e.

803 spiral flow, yielding low gas hold-up. Contrary to that, under

804 conditions of horizontal liquid motion imparted by e.g. rotating

46
 ACCEPTED MANUSCRIPT
805 impellers, the increase in wastewater velocity causes

806 neutralization of the spiral flow patterns, inclination of the

807 vertical gas plume, and dispersion of the bubbles and, as a

808 consequence, longer contact times between the phases yielding

809 better gas retention in the tank. As a result, the increase of the

PT
810 global mass transfer coefficient in the closed-loop tanks was

RI
811 found to be associated exclusively with fluid circulation.

812 The impact of the fluid velocity on oxygen mass transfer was

SC
813 later confirmed in experimental studies (Abusam et al. 2002). It

814 was reported that even small changes in the axial velocity may

815
U
have a dramatic effect on the oxygen profiles, and thus on the
AN
816 ammonia removal in oxidation ditches. Therefore in these
M

817 closed-loop AS systems, horizontal fluid velocity should be

818 treated as an important process variable to control total nitrogen

D

819 removal efficiency.

TE

820 A clear shortcoming of the discussed work (Cockx et al. 2001,

821 Do-Quang et al. 1999) is that the 2D modelling is insufficient

EP

822 to represent mutual interactions between the neighbouring gas

C

823 plumes causing formation of the more complex, three-

AC

824 dimensional flow structures. Moreover, the impact of the flow

825 circulation on the size of the bubbles released by membrane

826 diffusers was neglected; yet this plays a key role in the oxygen

827 mass transfer within the aeration tank. Nevertheless, despite

828 these weaknesses and the lack of experimental validation,

829 conclusions from this work provided valuable research

47
 ACCEPTED MANUSCRIPT
830 background for many successive numerical and experimental

831 studies.

832 Subsequent studies (Fayolle et al. 2007) addressed development

833 of a more complete numerical tool, to predict oxygen mass

PT
834 transfer in a number of pilot- and full-scale oxidation ditches of

835 various configurations and where aeration is dissociated from

RI
836 mixing by the introduction of membrane diffusers and slow

SC
837 speed mixers. The aeration was simulated using Eulerian model

838 for water and air. Mixing was modelled using fixed value

U
839 method by imposing flow characteristics induced by agitation
AN
840 on the grid zones corresponding to mixers location. This

841 method gives good prediction of the average experimental axial

M

842 velocity. Similar to earlier CFD works (Cockx et al. 2001, Do-

843 Quang et al. 1999), Fayolle et al. (2007) showed that oxygen
D

844 mass transfer in closed-loop AS basins aerated with diffusers is

TE

845 linked to the number, type, spatial distribution and performance

EP

846 of the agitators (Fayolle et al. 2007, Fayolle et al. 2010, Fayolle

847 et al. 2006, Vermande et al. 2007), The impact of the

C

848 ascending bubbles released by the diffusers on the velocity

AC

849 profile along the oxidation ditch can be seen in Figure 1. It was

850 also showed that implementation of more complex modelling

851 approach accounting for the impact of the bubble size on the

852 axial fluid velocities and on the global gas hold-up profile

853 within the tank, was able to reproduce precisely the values of

854  with high accuracy (≤ 5%). Nonetheless, it was found, that

48
 ACCEPTED MANUSCRIPT
855 the predicted accuracy depends on the assumed value of inlet

856 bubble size, emphasizing the necessity either to measure in situ

857 bubble diameter or apply an appropriate numerical model

858 estimating bubble sizes at the diffuser level. A shortcoming of

859 Fayolle et al. (2007) is that although the proposed CFD

PT
860 protocol appears to be suitable for the prediction and

RI
861 optimization of oxygenation capacities in a full scale AS tank,

862 it is based on clean water-air simulations. However, for robust

SC
863 analysis of agitation system performance, the impact of the

864 velocity on the local solids content and density gradients should

865 be considered.
U
AN
866 Yang et al. (2011) focused on predicting the flow pattern and
M

867 oxygen mass transfer in a multichannel oxidation ditch aerated

868 with horizontal rotors and agitated with submerged mixers (a

D

869 Carrousel). Experimental field data showed that under existing

TE

870 operational conditions, DO concentration in the anoxic zone

EP

871 exceeded 1.0 mg/L, inhibiting the denitrification process. Thus,

872 the aim of the CFD study was to determine an operational

C

873 regime for the surface aerators, which would lead to formation
AC

874 of stronger DO gradients in the anoxic zone, yielding a

875 reduction in energy expenditure for aeration while maintaining

876 high treatment efficiencies. The modelling procedure involved

877 a two-phase mixture approach, enhanced with additional

878 transport equations related to the transfer of oxygen introduced

879 by rotors and biochemical reaction of oxygen consumption for

49
 ACCEPTED MANUSCRIPT
880 BOD removal. To reduce computational expenses related to the

881 modelling of a number of rotating devices, the large surface

882 aerators were simulated using moving wall model, while

883 actuator disk (fan) approach was used to simulate submerged

884 mixers. Although an energy efficient operating scheme for the

PT
885 ditches was developed, this study was based on average flow

RI
886 and constant influent quality parameters, thus the validity of the

887 optimal operating conditions deduced from the steady-state is

SC
888 limited.

U
889 More recent CFD studies on the aeration of conventional AS
AN
890 tanks (Gresch et al. 2011) provided further and more detailed

891 analysis of the flow field induced by porous diffusers. The CFD
M

892 approach proposed in this work consisted of the gas-liquid

893 Eulerian multiphase model, where the physical properties of the

D

894 continuous phase were approximated to those of activated

TE

895 sludge. Moreover, instead of solving additional transport

EP

896 equations for oxygen transfer, hydrodynamic simulations were

897 enhanced with a biokinetic model for nitrification. The results

C

898 from CFD studies validated experimentally in a full-scale plug

AC

899 flow AS tank complemented conclusions from earlier work

900 (Cockx et al. 2001, Do-Quang et al. 1999) and provided a

901 comprehensive description of the spiral flow generated by

902 changing diffuser layout, its impact on the velocity field, air

903 hold-up (Figure 2), and ammonia degradation. It was also

904 shown that, contrary to the closed-loop basins, in plug flow AS

50
 ACCEPTED MANUSCRIPT
905 lanes without flow boosters, the flow field determines the

906 aeration efficiency and the intensity of the longitudinal mixing,

907 which are significantly reduced by either occurrence of non-

908 aerated zones at the sidewalls or the rolling motion of the fluid

909 generated by changes in diffusers layout.

PT
910 5.2.2. Density-coupled Models

RI
911 In recent years, multiphase modelling of AS tanks based on

SC
912 gas-liquid neutral density simulations has become common

913 practice for evaluation of both aeration and mixing, mainly

U
914 because it enables faster setup of the lab-scale validation,
AN
915 usually involving use of tap water and air only. However, CFD

916 studies on a sequencing batch reactor equipped with

M

917 conventional jet aeration system (Samstag et al. 2012) showed

918 that use of neutral density may lead to over-prediction of the

D

919 degree of mixing. In this work, a density-coupled CFD model

TE

920 incorporating solids settling and transport was calibrated to

EP

921 field data and used to evaluate capacity of the jet aeration

922 system in keeping the solids suspended and to determine power

C

923 consumption for pumping considering two operating modes:

AC

924 mixing with and without air. The authors found that in order to

925 generate complete information about activated sludge mixing,

926 complementary CFD studies based on density-couple

927 modelling are required to predict local density gradients due to

928 the impact of the flow regime on solids transport. While this

929 work underlines the importance of the analysis of the aeration

51
 ACCEPTED MANUSCRIPT
930 systems with respect to the activation sludge mixing, the

931 approach is rarely used by the wastewater modelling

932 community for AS tanks, and only limited works can be found

933 in the literature (Jensen et al. 2006, Laursen 2007, Samstag et

934 al. , Samstag et al. 1992, Samstag et al. 2012, Wicklein and

PT
935 Samstag 2009).

RI
936 Recently Xie et al. (2014) considered prediction of the mixing

SC
937 and suspended solids distribution in a full-scale Carrousel ditch

938 equipped with surface aerators and submerged impellers. The

U
939 simulation procedure involved a solid-liquid mixture model,
AN
940 where the sludge settling was coupled through the slip velocity.

941 Similar to the earlier work by Yang et al. (2011), surface rotors
M

942 and submerged mixers were simulated using moving wall and

943 fan models. The resulting mixing patterns and solids profiles
D

944 throughout the ditch, shown in Figure 3, facilitated

TE

945 identification of the stagnation regions affected by the sludge

EP

946 settling, and resulted in optimization of the operation scenario.

947 Previously, Fan et al. (2010) simulated a single-channel

C

948 oxidation ditch aerated by means of inversed umbrella surface

AC

949 aerators using a solid-liquid two-fluid Eulerian model. The

950 operating aerators were simulated using Multiple Reference

951 Frames (MRF) approach. This work also focused on a detailed

952 description of the mixing regime induced by the operating

953 aeration system, aiming to select the optimal range of aerator

52
 ACCEPTED MANUSCRIPT
954 speed ensuring the most uniform distribution of the solids

955 within the ditch, and thus prevents solids settling.

956 Thus, the literature shows that the use of density-coupling is

957 well founded to assess sludge mixing in agitated AS systems,

958 however its applicability to study bubbly bioreactors is still

PT
959 uncertain.

RI
960 5.2.3. Residence Time Distribution of AS tanks

SC
961 Although rarely used to simulate the aeration process itself,

962 CFD modelling based on the Lagrangian multiphase approach

U
963 with particle tracking can be used as a tool for evaluation of the
AN
964 aeration system performance through the assessment of the

965 macromixing, and thus the overall transport phenomena in a

M

966 bioreactor. The literature offers numerous examples of studies

967 on aeration and/or agitation systems responsible for different

D

968 flow patterns within the tank, and thus having an impact on the
TE

969 mixing at micro- and macro-scale in AS systems. Considering

EP

970 different advection paths of the fluid elements within an aerated

971 continuous flow channel or closed-loop bioreactors for

C

972 wastewater treatment, RTD data obtained from CFD

AC

973 simulations can be used successfully to predict such adverse

974 phenomena as segregation of the flow resulting in short-

975 circuiting (channelling), recycling of the flow, or formation of

976 dead zones. RTD data can also be used to assess the mixing

977 time, which can be of crucial importance for oxygen transfer

978 and impact on chemical and biochemical reaction yield. Data

53
 ACCEPTED MANUSCRIPT
979 can also be used for troubleshooting of the reactor and

980 improved design of the future vessels (Brannock 2003,

981 Karpinska et al. 2015, Karpinska Portela 2013, Kjellstrand

982 2006).

PT
983 Glover et al. (2006) considered oxidation ditches aerated by

984 bottom diffusers and agitated by slow-speed rotors and

RI
985 determined reactor model structure by implementation of a

CFD-generated RTD curve in Fluent into WEST® software

SC
986

987 environment based on the systemic approach. The fluid flow in

U
988 the ditch was obtained from the Eulerian gas-liquid model, and

the turbulence simulated with >

− $ model. It was found that
AN
989

990 the RTDs of the ditch behaviour can be approximated by 90

M

991 CSTRs (plug flow) for non-aerated conditions and by 20

992 CSTRs (perfectly mixed) for aerated conditions (Glover et al.

D

993 2006). The work showed that closed-loop reactors with

TE

994 different internal recycling rates, such as oxidation ditches, can

EP

995 be modelled by one or series of CSTRs, the number of which

996 can be determined from CFD-RTD studies. In this way, a

C

997 suitable reactor model structure for ASM studies can be

AC

998 predicted.

999 Le Moullec et al. (2008) considered the assessment of RTDs in

1000 a cross-flow channel reactor aerated with porous tube, in which

1001 the hydrodynamics was modelled using a gas-liquid Eulerian

1002 model and the turbulence models used were >

− $ and RSM.

54
 ACCEPTED MANUSCRIPT
1003 It was shown that in the channel-type reactors for wastewater

1004 treatment, turbulence has a dominant role in axial dispersion

1005 (90%), while dispersion due to convection is negligible.

1006 Furthermore it was shown that only the RTDs obtained from

1007 the RSM model are in good agreement with the experimental

PT
1008 data treated by curve fitting for a plug flow with axial

dispersion model, while the >

− $ model underestimated the

RI
1009

1010 value of dispersion coefficient by around 50%, as seen in

SC
1011 Figure 4. This particular case is the effect of the default

1012 constants in Lagrangian stochastic particle motion model,

1013
U
which are determined by different closure assumptions. Thus,
AN
1014 both models, >
− $ and RSM, will use different AB which are
M

1015 directly linked to the modelling of the turbulent dispersion,

1016 what emphasizes the need for careful attribution of values to

D

1017 parameters, through the proper model calibration.

TE

1018 Macromixing assessment is a useful tool to describe actual

EP

1019 reactor performance. CFD studies assessing the impact of

1020 turbulence model selection on the RTDs of oxidation ditches

C

1021 aerated with slot injectors (Karpinska Portela 2013, Pereira et

AC

1022 al. 2012), considered the fluid flow simulated with RANS and

1023 URANS with the >

− $ model and also LES with

1024 Smagorinsky’s SGS model. This work shows the limitations of

1025 some approaches in computation of the RTD, as the turbulence

1026 model involved to simulate hydrodynamics has a large impact

1027 on prediction of the tracer’s trajectories. The RTD simulations

55
 ACCEPTED MANUSCRIPT
1028 based on the average flow field, RANS and URANS, led to

1029 overestimation of channelling effects. The flow dynamics

1030 underlies mixing at all scales, both macro- and micro-, and thus

1031 this should always be accounted for. Furthermore, is has been

1032 shown that CFD data for AS modelling must align with all

PT
1033 dynamic components of the flow, thus LES simulations, which

RI
1034 demand more computational resource, should be used for some

1035 specific purposes.

SC
1036 5.2.4. Full model: CFD-ASM

U
1037 Few workers have focused on the development of a complete
AN
1038 three-phase CFD model to simulate actual physical-chemical-

1039 biological processes within different AS system configurations

M

1040 (Glover et al. 2006, Le Moullec et al. 2010a, b, Le Moullec et

1041 al. 2011, Lei and Ni 2014). Here, the integration of

D

1042 hydrodynamics with biokinetics is accomplished by embedding

TE

1043 an ASM model (e.g. ASM1) in a CFD model through

EP

1044 introduction of the additional species of transport with source

1045 terms comprising bioreaction rates. The CFD-ASM simulations

C

1046 permit the quantification of interactions and transport

AC

1047 phenomena between the water-gas, water-sludge and gas-

1048 sludge phases occurring within the AS reactor and accounting

1049 for the flow field, oxygen mass transfer, growth, decay and

1050 metabolic activity of the AS biomass, and sludge settling.

1051 Therefore it is possible to predict simultaneously the system

1052 hydrodynamics and its impact on the reactions occurring in

56
 ACCEPTED MANUSCRIPT
1053 nitrifying-denitrifying-biodegrading biomass and represented

1054 by the concentration profiles, in order to optimize aeration,

1055 mixing or system layout leading to efficient process operation

1056 with reduced exploitation costs.

PT
1057 The first attempt at CFD-ASM1 coupling reported in the

1058 literature (Glover et al. 2006), based on the Eulerian gas-liquid

RI
1059 approach, facilitated prediction of poor performance of the

SC
1060 diffused aeration system in a full scale oxidation ditch system,

1061 giving low nitrifying capacity of the sludge. These studies

U
1062 demonstrated the robustness of the CFD-ASM1 approach;
AN
1063 however it was emphasized, that the validity of this modelling

1064 procedure requires further work to study different AS systems

M

1065 and aeration/agitation scenarios.

D

1066 Le Moullec et al. (2010a) provided a robust discussion on the

TE

1067 modelling issues concerning simulations of the hydrodynamics

1068 and biokinetics in a channel AS tank aerated by porous tube

EP

1069 using Eulerian two-fluid model coupled to the ASM1. The

1070 authors discussed the trade-off between a model which can be

C

1071 implemented and run in the realistic time, and the extent of
AC

1072 simplifications required to facilitate this. The authors assumed

1073 that the channel reactor was in a pseudo steady-state with

1074 constant biomass content; air bubbles with constant diameter;

1075 and the activated sludge flocs being perfectly soluble in the

1076 liquid phase. These simplifications gave rise to a series of

57
 ACCEPTED MANUSCRIPT
1077 errors in model output; specifically, incorrect estimation of the

1078 local  value; underestimation of the nitrate and

1079 overestimation of the ammonia values (wrong estimation of the

1080 autotrophic fraction of biomass in the system).

1081 The conclusions from this work emphasized the importance of

PT
1082 the bubble size distribution for the oxygen mass transfer and for

RI
1083 the molar diffusivity of oxygen in mixed liquor. Furthermore, a

1084 new concept for the approximation of AS floc properties

SC
1085 (highly hydrated solid phase) to a liquid phase, was proposed.

1086 The authors also highlighted that, as the hydrodynamics-

1087
U
biokinetics coupling requires high number of CPUs and long
AN
1088 computational times, a compromise between mesh resolution
M

1089 and solution accuracy has to be found.

1090 In more recent work on three-phase CFD-ASM1 simulations of

D

1091 a Carrousel oxidation ditch aerated and agitated by means of

TE

1092 mechanical aerators and mixers, Lei and Ni (2014) treated the
EP

1093 AS flocs as a pseudo-solid phase. Here, the solid-liquid-gas

1094 flow field was obtained with a three-phase mixture model. The
C

1095 results from the simulations, (i.e. velocity, DO, organics and
AC

1096 nutrients profiles) are in good agreement with the validation

1097 data. Crucially, this modelling approach allowed the prediction

1098 of physical kinematics of sludge settling. Concentration maps

1099 of the solids (near the bottom), DO, COD, ammonia and

1100 nitrates (in the mid-depth) in the horizontal cross-section

1101 through the oxidation ditch, are shown in Figure 5.

58
 ACCEPTED MANUSCRIPT
1102 It can be concluded, that the CFD-ASM1 simulations provide

1103 more reliable results than those obtained from oversimplified

1104 ASM models, which fail to represent the flow dynamics within

1105 a system, particularly regarding DO profiles along an AS basin,

1106 which have an impact on the biological nutrient removal

PT
1107 (Pereira et al. 2009). Thus, the CFD-ASM data can be

RI
1108 considered more suitable for the design and scale-up of

1109 bioreactors. However, besides high computational costs,

SC
1110 another emerging drawback of CFD-ASM modelling approach

1111 is its limited feasibility due to stringent convergence criteria

1112
U
and equilibrium solution (Nopens and Wicks 2012). As a result,
AN
1113 the procedures of coupling hydrodynamics data obtained from
M

1114 CFD simulations with the ASM simulations have been also

1115 intensively studied (Glover et al. 2006, Karpinska Portela 2013,

D

1116 Le Moullec et al. 2010b, Pereira et al. 2012). Here the RTD
TE

1117 curves, actual HRT values, corrected recycle ratio, local

1118 velocities and other hydrodynamics characteristics obtained

EP

1119 from the CFD simulations of an analysed AS system can be

C

1120 used to generate a suitable reactor model, i.e. in terms of

AC

1121 number of CSTRs in series, recirculation rate and the flow

1122 pattern between each of the reactors, where the ASM can be

1123 implemented.

1124 Nowadays, an alternative modelling approach using a

1125 compartmental model, based on the description of the AS

1126 reactor system using a network of interconnected sections, i.e.

59
 ACCEPTED MANUSCRIPT
1127 compartments, is emerging. The bi-directional flow rates

1128 between the compartments are computed from the flow field

1129 obtained in the CFD simulations and accounting for the local

1130 values of velocities and mixing due to turbulence. When

1131 comparing with CFD models, compartmental models are

PT
1132 inexpensive in terms of RAM and CPU usage. Nevertheless, as

RI
1133 they are derived from steady-state CFD simulations, the results

1134 must be experimentally validated. In addition, it is still

SC
1135 necessary to develop a more detailed biokinetic model to apply

1136 this approach in modelling of the full-scale industrial

1137
U
bioreactors, including ASPs (Le Moullec et al. 2010b, Le
AN
1138 Moullec et al. 2011, Nopens and Wicks 2012, Pereira et al.
M

1139 2012).

1140
D
TE
C EP
AC

60
 ACCEPTED MANUSCRIPT

1141 Table 4. CFD modelling of aeration in Activated Sludge tanks.

Aim Reference Code Scale Dim. Mesh Model Multiphase Extra model Validation
size model

PT
>
− $
Numerical modelling of an Cockx et al. Astrid Full 2D n/a RANS + Gas-liquid Transport eq. for -

RI
oxidation ditch aerated with (2001), Do-Quang Eulerian oxygen
diffusers and agitated by et al. (1999)

SC
impellers.

>
− $
CFD studies of the oxidation Glover et al. Fluent Lab 3D n/a RANS + Gas-liquid Lagrangian, DO, COD,

U
ditches- coupling of (2006) pilot, Eulerian transport eq. for NH4, NO3
hydrodynamic with full oxygen + measurements

AN
biokinetics modelling. complete
biokinetics

M
(ASM1)

>
− $
Prediction of the oxygen Fayolle et al. Fluent Pilot, 3D 29k- URANS + Gas-liquid Transport eq. for MDV, DO

D
transfer in oxidation ditches. (2007) full 452k Eulerian oxygen (each measuremets
phase)

RTD of an aerated channel

bioreactor.
Le Moullec et al.
(2008) TE
Fluent Lab 3D 350k
>
−
RANS +

$/RSM
Gas-liquid
Eulerian
Lagrangian LDV,
tracer
EP
experiments

>
− $
Simulation of the Le Moullec et al. Fluent Lab 3D 50k RANS + Gas-liquid Transport eq. for LDV, bubble size
C

hydrodynamics and reactions (2010a), b), Le Eulerian oxygen + measurements

AC

in activated sludge channel Moullec et al. biokinetics

reactor. (2011) (ASM1)

61
 ACCEPTED MANUSCRIPT

1142 Table 4. Continuation.

Aim Reference Code Scale Dim. Mesh Model Multiphase Extra model Validation
size model

PT
>
− $
Impact of the surface Fan et al. (2010) Fluent Lab 3D 70,3k RANS + Solid-liquid - PDA

RI
aeration on the solids Eulerian
distribution in the oxidation
ditch.

SC

−(
Effect of aeration patterns Gresch et al. CFX Full 3D 400k URANS + SST Gas-liquid Biokinetics- ADV, reactive
on the flow field in the (2011) Eulerian consumption of NH4 tracer

U
conventional AS tank. experiments

AN
>
− $
Modification of the Yang et al. (2011) Fluent Full 3D 1,66M RANS + Gas-liquid Transport eq. for MDV,
operation conditions in the mixture oxygen + biokinetics- DO
oxidation ditch to enhance consumption of BOD measurements

M
energy efficiency.

D
>
− $
Evaluation of jet aeration Samstag et al. Fluent Full 3D URANS + Gas-liquid Density-coupled MLSS
and mixing in sequence (2012) mixture model- solids settling measurements

TE
batch reactors.

>
− $,
RTD of an oxidation ditch Karpinska Portela Fluent Pilot 3D 600k RANS + - Lagrangian -
EP
aerated with hydrojets. (2013); Karpinska

>
− $,
et al. (2015) URANS +
C

LES +
Smagorinsky
AC

SGS

62
 ACCEPTED MANUSCRIPT

1143

1144 Table 4. Continuation.

PT
Aim Reference Code Scale Dim. Mesh Model Multiphase Extra model Validation
size model

RI
>
− $
Studies on flow field and Xie et al. (2014) Fluent Full 3D 1,53M URANS + Solid-liquid Slip velocity- sludge MDV,

SC
sludge settling in Carrousel mixture settling MLSS measurements
oxidation ditch.

>
− $

U
A complete model to predict Lei and Ni (2014) Fluent Pilot 3D 162k RANS + Gas-liquid- Transport eq. for ADV,
hydrodynamics, oxygen solid mixture oxygen + DO, COD, MLSS,

AN
transfer and biokinetic biokinetics- (ASM1) NH4, NO3
reactions in an oxidation measurements
ditch.

M
1145 ADV - Acoustic Doppler Velocimetry, MDV - Mono-directional Velocimetry, PDA - Particle Dynamic Analysis, LDV - Laser Doppler

D
1146 Velocimetry.

TE
C EP
AC

63
 ACCEPTED MANUSCRIPT
1147 6. Unaddressed Issues in CFD Modelling of AS Tanks

1148 Despite the fact that work has taken place on the CFD

1149 modelling of AS systems for over 15 years now, there are a

1150 number of issues which remain unaddressed and which, if

1151 successfully overcome, would enhance model fidelity and

PT
1152 robustness further.

RI
1153 6.1. Secondary Settler

SC
1154 In engineering practice, the behaviour of the AS tanks is

1155 inseparably linked to the performance of the secondary settler,

U
1156 as the efficient removal of BOD and nutrients in AS process
AN
1157 depends on the Solid Retention Times (SRTs), concentration of

1158 Mixed Liquor Suspended Solids (MLSS), and the composition

M

1159 of biomass. The rationale behind the dynamic modelling of a

1160 coupled aeration tank- clarifier system is the prediction of

D

1161 interconnected flow and mass transport in unsteady flow

TE

1162 loading conditions, and thus evaluation of the impact of

EP

1163 dynamic changes in return sludge flow rates on the

1164 concentration patterns (Patziger et al. 2012).

C

1165 Secondary settling is referred to in the literature as “the most

AC

1166 sensitive and complicated process in activated sludge plants”

1167 (Ji et al. 1996). In fact, the complete CFD modelling of a

1168 clarifier is not a feasible task, since many physico-biochemical

1169 phenomena must be considered simultaneously, i.e.

1170 hydrodynamics, turbulence, flocculation, sludge rheology,

1171 settling characteristics, heat exchange and temperature, and

64
 ACCEPTED MANUSCRIPT
1172 finally, biokinetics (Plósz et al. 2012). The most critical issue in

1173 the modelling of clarifiers is the inherent unpredictability of

1174 activated sludge settleability and missing data regarding the

1175 particulate fraction. Additionally, even the most advanced

1176 models for clarifiers are still based on empirical equations

PT
1177 describing sludge settling. The variability of settling behaviour

RI
1178 which is not predicted by models affects the actual SRTs of AS

1179 system, yielding a potential source of error in wastewater

SC
1180 treatment plant models (Plósz et al. 2011, Plósz et al. 2012).

1181 Consequently, there is always a risk that the simultaneous

1182
U
modelling of clarifiers may affect the results obtained for the
AN
1183 AS tank. Nonetheless, a CFD simulation of a simplified 2D AS
M

1184 tank- clarifier system has been reported in the literature

1185 (Patziger et al. 2012), where the focus was on the solids
D

1186 transport between both units in conditions of variable inflow

TE

1187 and wet weather, but neglecting biokinetics and oxygen mass

1188 transfer. The necessity for further model enhancement and

EP

1189 validation was also emphasized.

C

1190 When considering the complexity of CFD models predicting

AC

1191 clarifier behaviour simultaneously with a complete solid-liquid-

1192 gas model of the AS tank, computing time, availability of CPU

1193 resources and predictive capability must be recognised as

1194 confounding issues. As a result, common modelling practice is

1195 to avoid the interference between the two unit processes, and

1196 assume constant separation efficiency for the clarifier

65
 ACCEPTED MANUSCRIPT
1197 performance (Le Moullec et al. 2010a, b, Le Moullec et al.

1198 2011) predicted in agreement with the guideline (Copp 2001).

1199 Moreover, in engineering practice, the design of clarifiers is

1200 based on assumption of certain sludge properties, hence the

1201 CFD models of settlers only have been frequently used for

PT
1202 optimization of design and retrofitting purposes (De Clercq

RI
1203 2003, Stamou et al. 2009). However, it will be worthwhile to

1204 pursue CFD analysis of integrated aeration tank- secondary

SC
1205 settler systems, when models capable of predicting the

1206 character of activated sludge flocculation are regularly

1207
U
incorporated into sludge settling models.
AN
1208 6.2. Population Balance Model
M

1209 The AS system can be described as an ensemble of populations

1210 of individual entities (bubbles, flocs, biomass cells), having

D

1211 specific properties (size, density, viscosity, enzymatic activity).

TE

1212 In such a system, two kinds of behaviour may be recognized:

EP

1213 interactions of the individual entities with the environment (e.g.

1214 interfacial oxygen transfer, shear induced break-up), and

C

1215 mutual interactions between the individual entities (e.g.

AC

1216 coalescence, aggregation). The character of these interactions is

1217 a function of one or more properties of the entities, which vary

1218 within the population. Thus, it is more correct to refer to this

1219 variation as “distributed properties”, as they can be represented

1220 by a distribution instead of a scalar (Nopens et al. 2015).

1221 Nevertheless, in order to reduce overall complexity of the

66
 ACCEPTED MANUSCRIPT
1222 model framework associated with aeration tanks, a common

1223 procedure is to assume non-distributed scalar properties

1224 implying that all individuals behave in exactly the same way

1225 (Nopens et al. 2015, Sobremisana et al. 2011). The classic

1226 example is the assumption of fixed bubble diameter (Fayolle et

PT
1227 al. 2007, Glover et al. 2006, Gresch et al. 2011, Le Moullec et

RI
1228 al. 2010a) and uniform floc size (Fan et al. 2010).

1229 When considering an AS tank, recent experimental studies have

SC
1230 demonstrated the influence of floc size on the flocculation

1231 behaviour and thus settleability of the activated sludge (Nopens

1232
U
et al. 2015), as well as on the biokinetic reaction environment
AN
1233 within the AS floc (Sobremisana et al. 2011). Therefore
M

1234 estimation of floc size distribution may provide further insight

1235 into modelling of the activated sludge mixing (Samstag et al.

D

1236 2012) and assessment of aeration tank settling, an important

TE

1237 process parameter allowing the prediction of hydraulic capacity

1238 and treatment efficiency during high hydraulic loads associated

EP

1239 with wet weather flows (Nielsen et al. 2000, Sharma et al.
C

1240 2013).
AC

1241 Depending on the bubble flow regime in an AS tank, the

1242 intensity of collisions, agglomerations, breakups and

1243 deformation promotes a large diversity in the shapes and sizes

1244 of the bubbles (Karpinska Portela 2013, Shaikh and Al-Dahhan

1245 2007, Takács 2005). At the same time, the impact of the bubble

1246 size on  , superficial gas velocity, and thus gas hold-up and

67
 ACCEPTED MANUSCRIPT
1247 oxygen mass transfer in aeration tanks has been also recognized

1248 (Fayolle et al. 2006, Vermande et al. 2007). However, in some

1249 cases involving modelling of aeration in conventional AS

1250 tanks, the assumption of non-distributed scalar properties is still

1251 predominant, while in others, i.e. modelling of clarifiers or

PT
1252 bubble columns, it may lead to predictions that diverge

RI
1253 significantly from the real systems (Sobremisana et al. 2011).

1254 Consequently, multiphase models which incorporate

SC
1255 bubble/particle size distributions require the use of population

1256 balance models (PBM) to describe variations in populations of

1257
U
entities. An assessment of several solution methods for PBM,
AN
1258 namely the discrete class size method (Hounslow et al. 1988),
M

1259 the standard method of moments- SMM (Randolf and Larson

1260 1971) and the quadrature method of moments- QMOM

D

1261 (Marchisio et al. 2003), can be found in the literature

TE

1262 (Bridgeman et al. 2009). It should be highlighted, that although

1263 development of PBMs is at advanced stage and the coupling of

EP

1264 QMOM with hydrodynamics requires only a small number of

C

1265 computationally inexpensive scalar equations to be tracked, its

AC

1266 application in modelling of aeration systems with suspended

1267 solids is still scarce and limited to very few examples

1268 (Bridgeman et al. 2009, Nopens et al. 2015, Sobremisana et al.

1269 2011), associated almost exclusively with secondary settlers

1270 (Griborio and McCorquodale 2006, Nopens et al. 2005).

1271 However, PBM-CFD coupling has been successfully exploited

68
 ACCEPTED MANUSCRIPT
1272 by the chemical engineering community to study bubble

1273 columns, airlift and stirred bioreactors (Dhanasekharan et al.

1274 2005, Morchain et al. 2014, Wang 2011).

1275

1276 7. Conclusions

PT
1277 In the last few years, as a result of increasing availability and

RI
1278 accessibility of commercial and open-source software suites,

1279 the use of CFD has evolved into a robust and precise technique

SC
1280 for design, optimization and control of the AS systems. The

1281 following key conclusions can be put forward from this review:

1282 •
U
The complete CFD simulation of the complex
AN
1283 multiphase flow in AS tanks remains a challenge, due
M

1284 to the high CPU and RAM requirements and limited

1285 feasibility resulting from the imposed convergence

D

1286 criteria. Although there is still no unequivocal protocol

TE

1287 on CFD methodology, the most computationally

1288 efficient scenario, RANS/URANS closed by >

− $
EP

1289 turbulence model has been adopted as the standard for

C

1290 the modelling of AS tanks;

•
AC

1291 Different CFD models serve different applications.

1292 Examples from the literature have demonstrated the

1293 potential and robustness of single flow simulations in

1294 design and optimization of the AS systems equipped

1295 with mechanical and jet aeration systems;

69
 ACCEPTED MANUSCRIPT
1296 • The Euler-Euler approach has been extensively

1297 explored for the prediction and optimization of

1298 oxygenation capacities in AS tanks equipped with

1299 diffused aeration systems;

1300 • Lagrangian approach with particle tracking has been

PT
1301 used to determine RTDs of the tanks- a tool for

RI
1302 evaluation of the aeration and mixing performance and

1303 troubleshooting of the reactor design;

SC
1304 • The neutral density modelling of AS tanks became

1305 common practice used for design and evaluation of

1306
U
aeration and mixing systems, despite leading to over-
AN
1307 prediction of the degree of mixing. Hence the necessity
M

1308 to include density-coupled modelling of aeration tanks

1309 to predict accurately local density gradients due to the

D

1310 impact of the flow regime on solids transport;

TE

1311 • A small number of works concerns a complete three-

1312 phase CFD model coupled with ASM1 aiming to

EP

1313 quantify the transport and mutual interactions between

C

1314 water-gas-sludge phases within the AS reactor. Despite

AC

1315 providing more reliable results than those obtained

1316 from ASM, this approach relies on the trade-off

1317 between a model which can be implemented and run in

1318 a realistic timeframe, and the extent of simplifications

1319 and the solution accuracy, which may lead to a series of

1320 output errors;

70
 ACCEPTED MANUSCRIPT
1321 • Potential possibilities of coupling of the CFD data with

1322 ASM based codes have been explored in order to

1323 generate a suitable tank-in-series model, where the

1324 biokinetic model can be implemented;

1325 • There are several areas in modelling practice, which

PT
1326 remain unaddressed and require further study, e.g.

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1327 modeling of coupled aeration tank- clarifier system to

1328 predict interconnected flow and mass transport in

SC
1329 unsteady flow conditions and CFD-PBM coupling to

1330 assess the impact of the AS floc/air bubble size on

1331
U
mixing, settling, gas hold-up and oxygen mass transfer
AN
1332 in the aeration tank.
M

1333
D

1334 Acknowledgements

1335 The research work of Dr. Anna M. Karpinska Portela was

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1336 funded by the College of Engineering and Physical Sciences,

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1337 University of Birmingham, UK.

1338
C
AC

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Figure captions

Figure 1. Streamlines coloured by liquid velocity magnitude ܷ௅ in tank (a) without aeration
(ܷ௅ = 0.35 ms−1) (b) without aeration (ܷ௅ = 0.27 ms−1) and (c) with aeration (ܷ௅ = 0.23 ms−1).
Reprinted from Fayolle et al. (2007). Copyright (2007) with permission from Elsevier.

Figure 2. Snapshot of air volume fractions at two cross sections with different diffuser
patterns. Reprinted from Gresch et al. (2011). Copyright (2011) with permission from
Elsevier.

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Figure 3. Contours of volume fraction of solid phase at different height: (A) top of the tank,
(B) middle of the tank, and (C) bottom of the tank. Reprinted from Xie et al. (2014).

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Copyright (2014) with permission from Elsevier.

Figure 4. Comparison between experimental and simulated RTD obtained with the RSM and

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the k – ε turbulence models and the particle tracking method for a liquid flowrate of 3.6
L min-1 and a gas flowrate of 15 L min-1. Reprinted from Le Moullec et al. (2008). Copyright
(2008) with permission from Elsevier.

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Figure 5. The contour plots of: (a) MLSS, (b) DO, (c) COD, (d) ammonia and (e) nitrate
concentration distribution, where “+” indicates measured data values at the sampling points
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in a Carrousel oxidation ditch. Reprinted from Lei and Ni (2014). Copyright (2014) with
permission from Elsevier.
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Highlights

• CFD analysis is a robust tool for evaluation and optimization of the AS systems.
• Turbulence models and multiphase approaches used to study AS tanks are presented.
• Pitfalls of modelling assumptions and simplifications are identified.
• Methods and examples of coupling of the CFD data with biokinetics are discussed.

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• Unaddressed challenges in modelling of the AS systems are critically discussed.

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