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Lecture Notes
by
Yoram Cohen
Department of Chemical Engineering
University of California, Los Angeles
Published by
Multimedia Envirosoft Corporation
Los Angeles, California
http://www.mmenvirosoft.com
©1999
PREFACE
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Table of Contents for Chapters 1-3
- iii -
CHAPTER 1
CONSERVATION OF MASS AND MOMENTUM
Overview
In order to quantify the transport of mass, momentum and energy it necessary to first establish
the fundamentals laws (or conservation equations) that govern the transport of their transport through
and across the systems of interest. There are basically two approaches. The first relies on a
description of the movement of each molecule in the domain of interest. The second treats the domain
as a discrete set of infinitesimal volume element; the properties of each infinitesimal volume element
i. Molecular Approach
In this approach equations of motion and energy transport are developed for individual
molecules whereby the interaction among molecules are considered. The molecular approach provides
a detailed and fundamental description of the transport of matter. However, this approach requires
detailed theoretical treatment of the interactions among various species and tracking many molecules
in space and time. As a result, this approach is best suited for determining physicochemical and
transport properties of matter and predicting transport behavior over short spatial scales (e.g.,
In the continuum approach it is assumed that the domain consists of continuous matter. Each
point is identified by a unique values of field variables such as velocity, pressure, temperature and
mass density. The approach describes overall transport behavior of fluids to a reasonable degree of
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accuracy; however, this approach is limited when the molecular dimensions approach the spatial
(1.1)
Equation 1.1 simply indicates that the continuum approach is valid when
1. Mass
2. Momentum
3. Energy
4. Thermodynamic Inequality
The conservation equations can then be used to describe the variation of different field
variables with space and time. In order to develop the conservation equations appropriate
derivatives that consider the evolution of material functions in time and space must be
defined. The appropriate derivatives and coordinate systems are discussed in the following
sections.
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1.2 Eulerian and Lagrangian Coordinates
Eulerian coordinate - the independent variables are x, y, z and t or xi, t (i=1...3). This is a fixed
coordinate system. The basic conservation equations are in the Eulerian frame, R = R (xi,t). In the
Lagrangian frame attention is fixed on a particular mass of fluid as it flows, R = R (xoi,t), where the
(1.2)
then the total differential of " can be expressed as
(1.3)
(1.4)
After taking the limit *t 6 0 we obtain the following expression which defines the material derivative
in which vi is the fluid velocity in direction i. The material derivative (Lagrangian time derivative)
(1.5)
represents the total change in " as seen by an observer who is moving with a particular fluid element
In the Lagrangian frame we observe the particle for a time *t as it flows. The position of the particle
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1.4 Control Volume
(1.6)
in which " is a fluid property, V is an arbitrary volume and L is a differential operator operating on
". The above integral equation can be satisfied for any arbitrary control volume only if L" = 0. Thus,
as we will see later, Eq. (1.6) can be used to convert an integro-differential equation to a differential
equation.
fluid domain. Fluid enters the volume element only through the open faces shown in the Figure 1.5.1.
As the volume element moves, volume-specific properties (e.g., density, enthalpy/volume) can change
spatially and temporally. In order to describe the change of any specific volume-specific property, we
can express the total time derivative of the selected property (integrated over the volume element)
using a finite difference approximation over an infinitesimal time interval, *t. Accordingly, the change
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of a volume specific property, ", with time can be expressed as
(1.7)
(1.8)
The volume can change as the control volume moves in space during a specified time period. Thus,
the differential control volume is determined by the fluid inflow into the element (i.e., the velocity
perpendicular to the face of the element) velocity perpendicular to the area of the element
(1.9)
where ds is the surface area, v is the velocity and n is the unit normal. Using Eq. 1.9, the balance
(1.10a)
(1.10b)
In order to reduce the above equation to a more convenient form we make use of the "divergence
(1.11)
in which a is any vector and n is the unit normal. Therefore, the first integral term on the R.H.S of
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Eq. 1.10b can be written as
(1.12)
(1.13)
(1.14)
Equations 1.13 and 1.14 are two alternative forms of the Reynolds’Transport Theorem. In Eqs. 1.13
and 1.14 the LHS represents the Lagrangian Derivative and the RHS represents the Eulerian
Derivatives.
The equation for conservation of mass can be derive by considering the density of the medium
as the property of interest. The density is substituted for " in the Reynolds transport equation ( eq.
(1.15)
Conservation of mass requires (excluding nuclear reactions) that the mass of the system
remains unchanged, assuming that there are no nuclear reactions in the domain of interest.
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Therefore, the total derivative of the system’s mass is zero
(1.16)
Another way of stating eq. 1.16 is to set the right-hand-side of equation 1.15 to zero
(1.17)
where mass = . Since we are dealing with an arbitrary volume, the integrand on the R.H.S of
(1.18)
We now apply the argument presented in section 1.4 (eq. 1.6) and thus eq. 1.19a can be converted
(1.19)
For an incompressible fluid the density is invariant with respect to position and time, i.e.,
(1.20)
which leads to the alternative form of the continuity equation for an incompressible fluid
(1.21)
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1.7 Some Useful Relations
Partial Derivatives:
(1.22)
(1.23)
where Vi is the mass average velocity of the mixture, and vi" is the velocity of component ". From
(1.24)
also if we define
(1.25)
(1.26)
(1.27)
or
(1.28)
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1.8 Multicomponent Mixture
The continuity equation for a mixture of soluble components can be derived using the
Reynolds’ Transport Theorem. We consider a mixture in which each component " (in a mixture of
N components) is present in the mixture at partial density1 D" (e.g., units of g/cm3). From the
Reynolds' Transport Theorem we have
(1.29)
(1.30)
In which R" is the reaction rate for component " on a mass basis. For an arbitrary control volume
(1.31)
(1.32)
Equation 1.32 can be presented in a different form by defining a velocity difference or “diffusion
velocity”, ui"
(1.33)
where Vi is the average velocity of the mixture along axis i. The diffusion velocity of component "
The partial density of component " is the contribution of component " (while in a
1
(1.34)
(1.35)
or if we define a diffusion flux, J" = D"u", for component " then we can rewrite eq. 1.35 as
(1.36a)
Equation 1.36a is the continuity equation for component " in the mixture. The continuity equation
for the mixture (neglecting nuclear reactions) can be obtained by summing Eq. 1.36a over all
components (note that = 0), resulting in the continuity equation which we derived earlier
(1.36b)
We often deal with incompressible mixtures and it is therefore convenient to expand eq. 1.36b
as given below
(1.37)
we note that for an incompressible fluid DD/Dt=0 and thus . Therefore, the continuity
(1.38)
The diffusion equation for component " can be written in terms of the mass flux by introducing the
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total flux variable,
(1.39)
"
We then introduce a component flux due to the component convective velocity (N ) and a component
(1.40)
The mass average velocity of the mixture is defined based on a mass fraction average
(1.41)
in which T" is the mass fraction of component ". Given eq. 1.41 we arrive at a diffusion flux given
by
(1.42)
(1.43)
therefore, the continuity equation for " can also be written as
(1.44)
Equation 1.44 is a general form of the mass transfer equation for a given component in a mixture. The
problem that we face, however, is that we cannot achieve closure until a proper equation is specified
Without proof let’s accept that the diffusion flux for component " can be represented by the
following equation:
(1.45)
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where D"m is the diffusion coefficient for component " is a mixture defined as
(1.46a)
(1.46b)
(1.47)
(1.48)
Special cases
(1.49)
(1.50)
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Solids2:
(1.51a)
If the diffusion coefficient is constant then eq. 1.51 can be simplified to yield
(1.51b)
The above diffusion equations can be solved once the velocity field is known and appropriate
boundary and initial conditions are specified. The information required includes:
Initial conditions:
Boundary Conditions
It should be noted that in principle, the diffusion of components in a mixture can affect the
diffusion coefficients and other physicochemical properties of the mixture such as viscosity and
thermal conductivity. Therefore, the mass transfer equation and the equations of motion are
intrinsically coupled. However, for dilute solutions it is generally accepted that concentration changes,
throughout the flow field, do not appreciably change the transport properties of the mixture; thus,
the equations of motion can in most instances be decoupled from the mass transfer equation.
2
Is the omission of Vi in Eq. (1.51) justified for diffusion in solids?
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1.9 Kinematics and Continuity
(1.52)
in which D" is the density of component ". The mass average velocity of the mixtures, v, is defined
by
(1.53)
(1.54)
let u" = v"-V; J" = D"u", then we can show that in a mixture the following restriction must hold
(1.55)
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