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USER'S M N A FOR C M U E SIMULATION AND AUL O P TR DESIGN OF THE MOVING BED COAL GASIFIER F i n a l Report Task Order No. 41
BY
C . Y . Wen, H. Chen, M. Onozaki Department of Chemical Engineering West Virginia University Morgantown, W. Va. 26505
January 1982
Prepared For United S t a t e s Department of Energy Morgantown Energy Technology Center Morgantown, West V i r g i n i a Under Contract No, DE-AT21-79MC16474
DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency Thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.
DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document.
ABST R4CT
A computer model o f countercurrent ~ o s - i n gbed coal g a s i f i e r developed
This manual ? r e s e n t s i n d e t a i l how t h e computer The unique f e a t u r e o f t h e p r e s e n t g a s i f i e r model The e s t i m a t i o n o f product gas I n addi-
i s t h e treatment o f t h e p y r o l y s i s o f c o a l .
and t a r d i s t r i b u t i o n s during d e v o l a t i l i z a t i o n i s u s u a l l y d i f f i c u l t .
t i o n , t a r and high molecular hydrocarbons produced d u r i n g d e v o l a t i l i z a t i o n may be subsequently cracked and r e a c t e d i n t h e vapor phase i n t h e presence o f char aqd minerals.
A semi-empirical appnac:? i s taken i n t h e p r e s e n t model
ti12
t o r e p r e s e n t t h e p y r o l y s i s zone o f
be2.
The p y r o l y s i s r e a c t i o n s a r e rep-
r e s e n t e d by t h r e e simple chemiczl r e z c t i c m :
d e v o l a t i l i z a t i o n , c r a c k i n g and
carbon d e p o s i t i o n x i t h e m p i r i c a l l y estinizz?? r e a c t i o n r a t e c o n s t a n t s .
The
: andunz o f gzs z?
73:
formed is e s t i z t e C 3 z z d on t h e s e r e a c t i o n s t o g e t h e r
.-
i s much s h o r t e r t h a n t h a t
. -.
t h e :?el$:
3 = I?=
- .
ze2ded f o r d e v o l a t i l i z a t i o n i s
t h e g a s i f i c a t i o n r e a c t i o n s are endothemLC so t h a t t h e temperature p r o f i l e along t h e be2 hoight reaches a m a x i m ir. The combustion zone and f a l l s i n t h e g a s i f i c z t l o n zone.
The g a s i f i c a t i o n r e a c t i o n s a r e a s s m e g t o b e heterogeneous r e a c t i o n s .
For f a s t r e a c t i o n s , d i f f u s i o n i s t h e r a t e c o n t r o l l i n g s t e p while f o r slow
r e a c t i o n s , t h e s u r f a c e r e a c t i o n s within t h e pores o f p a r t i c l e s i s t h e r a t e
contrJl!ing
;;e?.
T h e r e f o r ? , t h e n t e s or' z z s i f i c a t i o n r e a c t i o n s used i n t h e
ii
model a r e composed o f two terms, t h e r e a c t i o n term and t h e d i f f u s i o n term. The computer program developed can be used f o r both simulation and design. I t can be used t o simulate a g a s i f i e r t o o b t a i n t h e gas product d i s -
t r i b u t i o n s and coal conversion and c a l c u l a t e The r e q u i r e d bed height f o r a given carbon conversion.
A map o f f e a s i b l e o p e r a t i o n ranges can then be
c o n s t r u c t e d f o r t h e optimum design o f a g a s i f i e r . K i n e t i c parameters f o r t h r e e d i f f e r m r kinds o f c o a l a r e s p e c i f i e d i n t h e program. However, t h e program users may change t h e s e parameters according t o In a d d i t i o n ,
. . .
th:a range s p e c i f i e d .
The
f n n n a r z a 1 o;.trz;ing
c o n d i t i o n s should be done
iii
. . . . . . . . . . . . . . . . . . . . . . . . . . . .
ii vi
. . . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . . . . . . . . I . INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . I1 . MODEL . . . . . . . . . . . . . . . . . . . . . . . . . . . 11-1 . Assumptions . . . . . . . . . . . . . . . . . . . . 11-2 . P y r o l y s i s . . . . . . . . . . . . . . . . . . . . . 11.3 . G a s i f i c a t i o n Reaccioils . . . . . . . . . . . . . . 11-3.1. Char-Cx>-gm R?zz:isr~ . . . . . . . . . . . 11-j . 2 . C h a r - S t e a R-..- --. - . . . . . . . . . . . a , . . .
-. . 3 . TT-5
11-3.4.
vii
1
2 2
5
10
12
13
Water-Czs S h i e r F.ssstion
Hydroger.0 : .zez : - e x t i o n q
. . . . . . . . . . .. . . . . . .
14
15
15
16
11-2.5.
11-3.6.
Char-Car5m- i?ia:i.ie
?.extion
.......
. . . . . .
. .. 111. CALCUL-?TI2S PROCEDURES . . . . . . . . . . . . 111.1 . Structure of t h e C o m p t e r ?=;gram . . . 111.2 . F l o w C h a r t of t h e Conputsl- ? x g r a i i . . TII.2 . K i n e t i c Constants . . . . . . . . . . . IV . ISPUT fi.4T.A . . . . . . . . . . . . . . . . . . v . S.h'I?LE P R O E L 3 1 . . . . . . . . . . . . . . . . Y . Output o f t h e Computer P r ~ g r a z ~ . . . . 1 . V.2 . I n t e r p r e t a t i o n of Graphs . . . . . . .
iv
Char-Eylr7zrr ? . e ~ z = i m .
. . . . . .
. . . . . .
17 17 21 24
34
......
. . . . . .
......
. . . . . . . . . . . . . . . . . .
35
38
35
i .
APPLICATIOS . U D RANGE OF V A L I D I n
VI-1.
. . . . . . . . . . . . .
50
50
Desi,.?
,\lap
. . . . . . . . . . . . . . . . . . . . .
VI-2.
VI-;.
. . .
57
57
63
. . . . . . . .
SOMENCLATURE REFERENCES
.......................... ...........................
. . . . . . . . . . . . . .
65
.I PEND I XES A
A.
67
B.
PROGRW LIST
. . . . . . . . . . . . . . . . . . . . . .
76
LIST OF FIGURES
Page Figure 11-1. Moving Bed Coal Gasifier 11-2. 111-1. 111-2. V-1. V-2.
.............. Model of Moving Bed Coal Gasifier . . . . . . . . . Program Structure . . . . . . . . . . . . . . . . . . Computer Flow Diagram . . . . . . . . . . . . . . .
Temperature as a Function of Bed Height in Sample Calculation
3 3 18 22 42 43
44
................ ..............
..............
..............
45
46
V-5.
V-6.
..............
..............
47
V-7. VI-1.
..............
48
51 52 53 54
55
....................
....................
....................
....................
vi
....................
LIST OF TABLES
Page Table 11-1. Reaction-Rate Constants for Coal Pyrolysis Model 111-1. List of Subroutines 111-2. Kinetic Constants
..
................ .................
..
19 25 26
111-3. Comparison of Simulation Results to Experimental Results for Arkwright Bituminous Coal . . . . 111-4. Comparison of Simulation Results to Experimental Results for Pittsburgh No. 8 Bituminous Coal
.......................
28
111-5. Comparison of Simulation Results to Experimental Results for Illinois No. 6 Bituminous Coal . . 111-6. Comparison of Simulation Results to Experimental Results for Rosebud Subbituminous Coal . . . . IV-1. Typical Inpt Data
..
30
32
.. .................
35 39
40
41
..........
58
vii
I .
INTRODUCTION
The o b j e c t i v e of t h i s manual i s t o assist program u s e r s i n e f f e c t i v e l y u t i l i z i n g t h e computer program that has been developed f o r moving
bed c o a l g a s i f i e r s .
- d e s i g n and s i m u l a t i o n ,
f o r a counter-
One of t h e unique c h a r a c t e r i s t i c s of
t a r formed i n t h e g a s i f i e r .
guide t o change t h e parameters and t h e c o n s t a n t s i n t h e program so t h a t t h e user can apply this program t o v a r i o u s o p e r a t i n g c o n d i t i o n s as w e l l as the d i f f e r e n t types of c o a l used.
way
of c o a l e a s i l y .
Although mathematical models are o f t e n used f o r scale-up and optimization as w e l l as extrapolation beyond the range of normal operating
c o n d i t i c n s , t h e user should t a k e extreme c a u t i o n i n applying t h e model developed here f o r such purposes. Before u s i n g t h e program, t h e assump-
11.
MODEL
d e v o l a t i l i z a t i o n f i r s t e v o l v i n g t a r and gases.
following reactions t a k e p l a c e : 1 1. c + y o2 * (2
2 C .
2 - -Y )
co
(-
- 1)
co2
3 .
4 .
5 .
6 C+2%*CE4 .
The following assumptions are made i n t h e model
3, HZS, N2 H20,
(including
Ar) and
CH4.
4. D e v o l a t i l i z a t i o n takes p l a c e s e p a r a t e l y from o t h e r r e a c t i o n s .
The g a s i f i e r m d e l i s t h e r e f o r e composed of two s e c t i o n s , as
Since d e v o l a t i l i z a t i o n t a k e s place i n a
Raw
Product
coal
+-?
---coke
Gasification Reaction section
Drying
Devolatili zat iod
- -1
Reduction
grate,
(ASH*NBURNED CARBON)
(OXYGEN+STE AM )
CAlR
+ STEAM )
OR
&VING
FIGUW 1-2
MODEL
OF
MOVING BED
COAL GASIFIER
s e c t i o n is t h e r e f o r e e q u a l t o t h e l e n g t h of t h e g a s i f i e r .
5 . Volumetric r e a c t i o n r e p r e s e n t s a l l gas-solid r e a c t i o n s except
r a t i o i n t a r i s t h e s a m e as t h a t i n t h e o r i g i n a l c o a l .
15 , Devolat i l i z a t i o n is t h e r m a l l y n e u t r a l .
16. The g a s i f i e r p r e s s u r e is c o n s t a n t .
11-2
Pyrolysis
7011
o n l y on t h e type of c o a l b u t a l s o on t h e o p e r a t i n g c o n d i t i o n s , such as
(9) t o estimate v o l a t i l e y i e l d .
These are d e v o l a t i l i z a t i o n ,
c r a c k i n g and d e p o s i t i o n :
* Devolatilization
Coal
kl
X1
tar
(1
- XI)
char
* Cracking
k2 Tar 4 product gas
* Deposition
T a r 4char
C h a r is
All of t h e
1
k2 tar
caal
MASS TRANSFER
The c o a l p a r t i c l e can b e c o n s i d e r e d as a porous sphere, which r e t a i n s
i t s i n t e g r i t y w h i l e p y r o l y s i s r e a c t i o n proceeds.
The conservation e q u a t i o n
cis
. .
i a - -t a
r2
(r2
Ni)
= Ri
-D
eff,i
ar + W i Z1N f
which i s n e c e s s a r y f o r c a l c u l a t i n g t h e
-I
where Ci'
and Ci,b
are t h e c o n c e n t r a t i o n s o f t h e gas s p e c i e s i a t t h e
Here k
HEAT TRANSFER
The energy-balance equation f o r t h e p a r t i c l e i s d e r i v e d by t a k i n g
ps
3 ro hc(Tw
- T)
+-3aFe r
0
4
CTW
- T4)
+-3 h
ciHiRi
where m r e p r e s e n t s t h e f r a c t i o n of t h e s u r f a c e a r e a of t h e p a r t i c l e in c o n t a c t w i t h t h e h e a t i n g element, and Tv i s t h e temperature of t h e h e a t i n g
element.
is assumed t o be zero.
The mass-transfer e q u a t i o n s and the h e a t - t r a n s f e r equations d i s c u s s e d above can be solved numerically based on the following i n i t i a l and bound-
ary conditions:
t = 0, Ci = Cio,
and T = To
and r = r
0
ci = cis
WEIGHT-LOSS CALCULATIONS
The observable phenomena f o r p y r o l y s i s are p a r t i c l e weight loss, WL,
and product d i s t r i b u t i o n . The amount of t a r and gas formed a t any t i m e ,
The t o t a l w e i g h t l o s s of t h e p a r t i c l e can be c a l c u l a t e d e i t h e r by t h e
a d d i t i o n of t h e weight l o s s of t a r and g a s o r by t h e s u b t r a c t i o n of t h e weight of unreacted c o a l and c h a r remaining i n t h e p a r t i c l e during pyro-
l y s i s , from t h e o r i g i n a l wieght of t h e c o a l .
Thus,
(Weight of unreacted
(Weight of c h a r formed)
constants
obtained f o r d i f f e r e n t ranks of c o a l s are t a b u l a t e d i n Table 11-1. Table 11-1 Reaction-Rate Constants f o r Coal Pyrolysis Model
React ionrate c o n s t a n t
k10 (l/sec>
Bituminous coal
Subbituminous coal
~~ ~ ~~~~~
Lignite
1.1
75 x .
io4
51 .
io4
5 0 (cal /g-mle)
k,, (l/sec)
2 1,200
18,700
3.5 x 1 o l 0
27,750
2.5
16,200
9.7
8 x 10
29,000
26,500
1.1
5.3
io4
io3
7,000
5 500
4 000
can be c o r r e l -
LO
X1 = 1.30 ( V . M . )
Lignite :
X1 = 0.95 @ M ) ..
+ 0.025 + 0.025
s p e c i f i e d by t h e program user i n accordance w i t h t h e t y p e of c o a l employed, and p a r t i c l e weight l o s s by p y r o l y s i s w i t h o u t hydropyrolysis can be calc u l a t e d by Subroutine DEVOL.
I n e s t i m a t i n g t h e amount of t a r and g a s
11-3
G a s i f i c a t i o n Reactions
In o r d e r t o simulate t h e r e a c t i o n s e c t i o n , d i f f e r e n t i a l e q u a t i o n s
w i t h r e s p e c t t o d i s t a n c e are set up f o r each of t h e e i g h t v a r i a b l e s cons i d e r e d in t h e p r o s a m , namely, flow rates o f c h a r , CO, C02, 02, H2, CH4,
H 0 and temperature.
2
C Hi Ri
i-1
-h
IT D (T
- Tw)
where D is t h e diameter of t h e g a s i f i e r , T
the heat t r a n s f e r c o e f f i c i e n t , H
i
i s t h e w a l l temperature, h is
i s t h e heat o f r e a c t i o n o f r e a c t i o n i,
11
is t h e rate of r e a c t i o n i, A is t h e c r o s s - s e c t i o n a l area of t h e g a s i -
f i e r , C i s t h e h e a t c a p a c i t y of bed naterials, p i s t h e d e n s i t y of bed P materials, U i s t h e s u p e r f i c i a l l i n e a r v e l o c i t y and 7 i s the mlar co flow rate of CO. The rates of v a r i o u s g a s i f i c a t i o n r e a c t i o n s , R i are
(22).
Generally, t h e volume
and d i f f u s i o n is t h e r a t e c o n t r o l l i n g s t e p .
In t h e char-gas r e a c t i o n s ,
place i n a gasifier.
The r e a c t i o n rate c o n s i d e r i n g g a s f i l m d i f f u s i o n , a s h d i f f u s i o n
Rate =
kfilm where kf ilm
+-+S
1 1
8 1
(Pi
- p;>
P Y2
kash
is t h e gas f i l m d i f f u s i o n c o e f f i c i e n t , ks i s t h e chemical
12
11-31
i-jj
o2 * ( 2
2 2 - y) co + (-Y - 1)
co2
Wn e
The value
For l a r g e p a r t i c l e s (>lmm) t h e v a l u e of
d i f f u s i o n c o n s t a n t s for t h e char-oxygen r e a c t i o n .
s t u d i e d t h e char-oxygen r e a c t i o n without c o n s i d e r i n g t h e a s h
dif
fusion.
of 10 mm, and i n most cases, t h e gas f i l m and a s h d i f f u s i o n s are t h e r a t e controlling steps. T h e r e f o r e t h e rate e q u a t i o n shown below c o n s i d e r i n g
kfilm kash
0.292
kfilm
4 . 2 6 (T/18OO)'*"/(dP
' p
T)
2.5
cy/(1
- Y)>
Y = tcore/rparticle
sec)
13
= p o r o s i t y of a s h (-)
kf ilm = mass t r a n s f e r c o e f f i c i e n t f o r g a s f i l m d i f f u s i o n
(gm-mo1e/cm3 sec
atm)
= average r a d i u s of s h r i n k i n g u n r e a c t e d c o a l p a r t i c l e s (cm)
= a v e r a g e r a d i u s of f e e d c o a l p a r t i c l e s (cm)
'particle
11-3-2
char-carbon d i o x i d e reaction f o l l o w s the "volumetric r e a c t i o n " and cont r o l s t h e maximum temperature. Therefore, t h e k i n e t i c s of t h i s r e a c t i o n
are v e r y important.
where [C] = c o n c e n t r a t i o n of c h a r
k
eq = t h e e q u i l i b r i u m c o n s t a n t of t h e r e a c t i o n
%=
t h e rate c o n s t a n t p e r u n i t volume
used :
*
'2 H0
where R
2
= P
PCO/exp (17.29
- 16330/T)
sec)
HZ
= the r e a c t i o n rate (g-mol/cm3
14
ko2
sec)
E2 = t h e a c t i v a t i o n energy f o r t h e r e a c t i o n ( c a l / g - m l )
The v a l u e s of kO2 and E
2
are d i f f e r e n t f o r d i f f e r e n t forms of c h a r s ( 5 , 6,
In this program three sets o f kinetic c o n s t a n t s f o r d i f These c o n s t a n t s are l i s t e d i n 111-3 Since t h e char-steam
r e a c t i o n is a f f e c t e d by d i f f u s i o n through p o r e s of char f o r temperatures above 1200C (10, 13, 1 4 ) , the above rate e x p r e s s i o n should not b e used
11-53
This r e a c t i o n is q u i c k , e s p e c i a l l y i n t h e presence of a c a t a l y s t .
Most water-gas s h i f t r e a c t o r s employ an iron-base or c h r o m i m b a s e c a t a l y s t
t o produce hydrogen from CO and H20.
Desai and Wen (3) used a second
o r d e r r a t e e x p r e s s i o n developed by Me (15) t o d e s c r i b e t h i s r e a c t i o n . o Singh and Sarah (17) a l s o proposed a f i r s t o r d e r r a t e e q u a t i o n t a k i n g into account t h e e f f e c t of temperature, pressure, a g e of c a t a l y s t , and H2S c o n t e n t i n t h e r e a c t i n g gas on a c a t a l y s t .
By assuming a c o r r e c t i o n f a c t o r , b, which r e p r e s e n t s t h e r e a c t i v -
Rg = b
O' C(
2.877 x
lo5 x
exp (-27760/RT)
% , O
- '0 C2
%,/k~gs)
'ash
'c
- %ed )
exp (-8.91
+ 5553/T)
IS
where R3 = t h e r e a c t i o n r a t e (g-mol/cm3 sec)
k
b
wgs
= t h e e q u i l i b r i u m c o n s t a n t of t h e water-gas s h i f t r e a c t i o n
They
11-3-4
B4
= 3
10"
exp (-16OOO/RT)
(P
0,
L
/82.06
T)Oo3
@
=2
/82-06
T)Oo5
ha.
sec)
w h e r e R4 = the r e a c t i o n rate ( g m - ~ l e / c m 3
= t h e porosity of t h e bed (-)
11-3-5
at a
16
low CO
for carbon-steam r e a c t i o n .
*
pco2
= P
/exp (20.92
- 202'80/T)
sec) sec)
cG2
ko5 = t h e r e a c t i o n r a t e c o e f f i c i e n t ( l / a t m
E5 = t h e a c t i v a t i o n energy f o r the r e a c t i o n ( c a l / g - m l e )
Char-fIydrogen Reaction (Reaction 6 )
11-3-6
methane.
The i n i t i a l phase of r e a c t i o n
between hydrogen and c o a l I s r a p i d and h a s been c o n s i d e r e d i n t h e devola t i l i z a t i o n section in the gasifier. remaining c h a r i s much slower. r e s s i o n s are used: The r e a c t i o n of hydrogen w i t h t h e
In t h i s program t h e f o l l o w i n g r a t e exp-
R6 = exp (-7.087
p
H2
- 8078/T)
+
(Pa
2
[P
/exp (-13.43
10100/T)lo'5
m4
111.
The s t r u c t u r e o f t h e computer
boundary value problem can be solved by first assuming a value f o r t h e carbon flow r a t e i n t h e s o l i d output and t h e n u s i n g t h e f o u r t h o r d e r RungeKutta method t o s o l v e t h e r e s u l t i n g i n i t i a l v a l u e problem from t h e bottom t o t h e top o f t h e reaction section. The secant method i s used t o a d j u s t
result o f p y r o l y s i s .
This
The program can a l s o be used t o design a moving bed coal g a s i f i e r i f t h e f r a c t i o n of unconverted carbon i s s p e c i f i e d .
can be solved for t h e r e a c t i o n s e c t i o n from t h e bottom upward u n t i l t h e c a l c u l a t e d coal input r a t e i s equal t o t h e s p e c i f i e d value. c a l c u l a t e d i s then t h e r e q u i r e d bed height. The d i s t a n c e
In t h i s calculation, iteration
is not required.
18
e,
p.
4
w w w
a l
.rl
s!
LL
Input t o Subroutines
Output t o Subroutines
same as l e f t
CPH
t o calculate t h e heat c a p a c i t i e s and e n t h a l p i e s o f gaseous s p e c i e s t o Calculate t h e heat capacity o f coal t o calculate s i x reaction r a t e s
Main Program
heat c a p a c i t y o f coal
Main Program
temperature, gas compo s i t ion p a r t i c 1e diameter and amount o f combusted carbon temperature, compos i t i o n o f c o a l , amount o f c o a l f e d and f r a c t i o n o f pyrolyzed v o l a t i l e matter temperature, compos i t i o n o f c o a l and amount o f c o a l f e d coefficients of d i f f e r e n t i a l equations
s i x reaction rates
DE VU
Main Program
-DEVOL
. t o c a l c u l a t e t h e amount o f v o l a t i l e products
-~~~
~
DEVO
DFN
DE VO L
d i f f e r e n t i a1 values
c ,
ID
Punct ion
t o calculate t h e i n i t i a l conditions f o r solving t h e d i f f e r e n t i a l equations t o calculate the coal con cen t r a t ion t o f e t c h t h e r a t e copstants f o r t h r e e kinds o f coal t o a d j u s t carbon convers i o n by Secant Method
Input t o Subroutines d e v o l a t i l i z a t i o n rate and c o a l concentration devolatilization r a t e and coal concentration type o f coal
Output f r o m Subroutines
INIT
DE VOL
i n i t i a l conditions
DFNN
INIT
DE VO L
CONSTK
CRECT
Main Program
DEBS
DE VO L
INIT
NLDEQS
t o solve the f i r s t order non-linear d i f f e r e n t i a l equations by Runge- Kut t a method with f i x e d s t e p length
Main Program
tl BAM
-- ------
NLDEQS
N O
FYP LOT
t o p l o t diagram
Main Program
21
111-2.
MAIN
22
THE GASIFIER
b
Figure 111-2
Computer Flow Diagram
Q
Y N Y
23
1
ADJUST
xc
BY SECA~IT
rmou
;
CALCULATE DEVOLATlLl ZATl ON PRODUCTS
(1
+
PRINT RESULTS AND PLOT CURVES
24
111-3.
Kinetic c o n s t a n t s Sim-
f r o m t h e Lurgi P r e s s u r e - g a s i f i c a t i o n p l a n t (4) t o o b t a i n s u i t a b l e k i n e t i c
constants. The experimental d a t a by t h e METC f i x e d bed g a s i f i e r (3) were
L- . . .
25 Table 1 1 1 - 2 .
Arkwri ght Pittsburgh (Bituminous )
K i n e t i c Constants
I11 n o i s i No. 6 (Bituminous )
Rosebud (Subbituminous)
70.0
KO*, l/atm
sec
3000
42000 0.0155 3000 42000
E2, cal/g-mole
b
kO5, l/atm
sec
45000
0.0068 930 45000
30000
0.014
70.0
600 45000
Es, callg-mole
klO, l/'sec
30000
5.1 x PO 16200 8 x
4
1.1 x 105
1.1 x 105
21200 9 . 7 x 10 29000
1.1 x 105
21200
ElO, cal/g-mole
21200
9 9.7 x 10
9 9.7 x 10
29000
lo1'
EZ0, cal/g-mole
29000
26500
3 1.1 x 10
lo4
5.3 x 10
7000 0.976
5 3 x 1 04 .
7000
0.919
4000 1.22
0.870
sis
26 Table 111-3. Comparison of Simulation Results to Experimental Results for Arkwright Bituminous Coal Experimental Conditions (3) Coal feed rate, lbs/hr Proximate analysis of coal, wt % Moisture, 1.12 Fixed carbon, 52.00 Volatile matter, 38.63 Ash , 8.25 1218.0
c,
N,
Ash,
H, 5.7
0,
4.9
s,
2.7
H20, 1.12
Temperature of coal, Temperature of steam, Temperature of air, Temperature of wall Pressure, psig Bed diameter, ft Bed height, ft
OF
OF
OF
6.5
0.75 Input Data
hr
*OR
90.0
0.40
27
Experimental Results T o t a l dry product g a s , lbsmole/hr Product gas composition, mole % 199.6
S imul a t ed
Results 200.1
co
coZ
16.9
10.2
16.1 3.6 52.7
0.52
HZ
CH4
N2
y2s
1253.0
28
Table 111-4. Comparison o f Simulation R e s u l t s t o Experimental R e s u l t s for P i t t s b u r g h No. 8 Bituminous Coal
8058.0
Moisture,
4.58
7.74
Ultimate a n a l y s i s o f c o a l , w t %
c,
N,
Ash,
H, 5.0
S, 2.5
0,
4.5
HZO, 4.58
coal
13441.8
Steam f e e d r a t e , 1 b s h Oxygen f e e d r a t e , lbs/hr Oxygen c o n t e n t , mole r a t i o Temperature of c o a l , Temperature of steam, Temperature of oxygen, Temperature of wall, Pressure, psig Bed. diameter, f t Bed h e i g h t , f t I n i t i a l coal p a r t i c l e s i z e , inches
O F
26145. 0
5005.0
0.94 77.0
O F
O F
700.0
900.0 700.0 350.0 10.0 10.0 0.79
Input Data
OF
Heat t r a n s f e r c o e f f i c i e n t , B t u / f t Z
Bed voidage
hr
OR
30.0 0.40
29 Table 111-4.
(cont.)
Experimental Results Total dry product gas, lbs mole/hr Product gas composition, mole %
771.0
co
16.0
31.0
40.2
10.3
N2
16 .
1.7 0.8
1170.0
H2S Exit steam rate, lbs mole/hr Amount of tar, lbs/hr Temperature of exit gas, Maximum temperature, Carbon conversion, % Heating value of dry product gas, Btu/SCF Heat loss, 106 Btu/hr
O F O F
0.7
1189.0 425.0 1196.0
-98.9
285.0
280.0
30.0
30 Table 111-5. Comparison of Simulation R e s u l t s t o Experimental R e s u l t s f o r I l l i n o i s No. 6 Bituminous Coal Experimental Conditions (4) Coal feed r a t e , l b s / h r Proximate a n a l y s i s of c o a l , w t % Moisture, 10.23 V o l a t i l e matter, 34.70 13270.0
Ash,
9.10
Ultimate a n a l y s i s o f c o a l , w t %
C,
H, 4.3
0,
8.1 10.23
N,
Ash,
S, 2.8
H20,
Heating value of coal,Btu/lb-wet Steam feed r a t e , l b s / h r Oxygen feed r a t e , l b s / h r Oxygen c o n t e n t , mole r a t i o Temperature of c o a l , Temperature of steam, Temperature of oxygen, Temperature of wall, Pressure, psig Bed diameter, f t Bed h e i g h t , f t
OF
O F
'
coal
11463.598
O F
O F
10.0
10.0
0.93 Input 'Data
I n i t i a l c o a l p a r t i c l e s i t e , inches
Heat t r a n s f e r c o e f f i c i e n t , B t u / f t 2
Bed voidage
hr
* O R
30.0
31
Table 111-5.
(cont.)
Experimental Results
1061.0
co
c02 H2 CH4 N2
H2S
1.7
1.1
1528.0
943.0
1119.0
Maximum tenperature,
Carbon conversion, %
OF
Heating value of dry product gas, Btu/SCF Heat loss, 106 Btu/hr
32
Table 111-6. Comparison of Simulation R e s u l t s t o Experimental R e s u l t s f o r Rosebud Subbituminous Coal Experimental Conditions (4) Coal f e e d r a t e , lbs/hr Proximate a n a l y s i s of c o a l , w t % Moisture , 26.48 V o l a t i l e matter, 29.10 13580.0
Ash ,
8.97
Ultimate a n a l y s i s o f c o a l , w t % Cy 49.8 0.8 8.97 coal 8611.297 13673.0 3336.0 0.94 77.0 700.0 700.0 700.0 344.0
H, 3.4
0,
9.5
N,
Ash,
s, 1.0
H20, 26.48
Heating v a l u e of coal,Btu/lb-wet Steam f e e d r a t e , l b s / h r Oxygen f e e d r a t e , l b s / h r Oxygen c o n t e n t , mole r a t i o Temperature of c o a l , Temperature of steam, Temperature o f oxygen, Temperature of wall, Pressure , psig Bed diameter, f t Bed h e i g h t , f t
OF OF
OF
OF
10.0 10.0
0.27 Input Data
I n i t i a l coal p a r t i c l e s i z e , inches
Heat t r a n s f e r c o e f f i c i e n t , B t u / f t 2
Bed voidage
hr
* O R
30.0 0.40
33
Table 111-6.
768.0
20.2
c02
HZ
CH4 *2
1.3
0.4 672.0 597.0
O F
H2S
0.5
651.0
900.0
889.0
617.0
M a x i m u m temperature, "F
Carbon conversion, % Heating value of d r y product gas, Btu/SCF
-98.7* 312.0
1831.0
95.5 325.0
19.0
--
34
Iv.
t h e i n p u t d a t a can be changed as d e s c r i b e d i n Chapter VI i f t h e p r o p e r t i e s o f coal are d i f f e r e n t f r o m t h o s e t h r e e sets l i s t e d i n Table IV-1. The contents o f t h e i n p u t d a t a are shown as f o l l o w s :
1st Row:
~
e n t e r e d i n columns 1-20.
2nd Row:
and d i s t r i b u t i o n w i l l be c a l c u l a t e d .
The 2nd column shows t h e f e e d stock.
A "1" i s i o r bituminous c o a l ,
According t o t h i s code,
k i n e t i c c o n s t a n t s f o r p y r o l y s i s w i l l be chosen.
I f t h e coal sample i s d i f -
3rd R w (Proximate A n a l y s i s ) : o
f r o m the
2nd column;
f r o m t h e 12th col.umn;
35
Table IV-1.
12
\
22
32
42
52
62
1
2 3 4 5 6
10/9 (PITTSBURGH 8)
0.742
8058.0 13441.8 0.4
7
8
700.0 10.0
700.0
1 2 3
4 5
6
7 8 1 2 3 4 5 6 7
10/9 (ILLINOIS 6 ) 21 10.23 34.70 0.642 0.043 13270.0 33331.0 11463.6 335.0 0.4 30.0 3000.0 42000.0 l O / 9 (ROSEBUD) 23 26.48 29.1 0.498 0.034 13580.0 13673.0 8611.3 344. 0.4 30.0 70.0 30000.0
45.97 0.081 6396.0 10.0 700.0 0.0155 35.45 0.095 3336.0 10.0 700.6 0.014
9.10 0.012
700.0 10.0
700.0
700.0 10.0
700.0
70.0
36
4 t h Row (Ultimate A n a l y s i s ) :
from t h e
from t h e . 1 2 t h column; hydrogen c o n t e n t (wt r a t i o ) from t h e 22nd column; oxygen c o n t e n t (wt r a t i o ) from t h e 32nd column; n i t r o g e n c o n t e n t (wt r a t i o )
from t h e 22nd column; air/oxygen feed r a t e i n c l u d i n g n i t r o g e n and argon a t t h e bottom of the g a s i f i e r ( l b s / h r ) from t h e 32nd column; oxygen c o n t e n t o f t h e above air/oxygen f e e d (mole r a t i o ) from t h e 42nd column; temperature o f f e e d c o a l from the 52nd column; temperature o f steam
(OF) (OF)
from t h e 62nd column; temperature o f air/oxygen 6 t h Row (Operating Condition and Dimension): from t h e 2nd column; h e a t i n g v a l u e of f e e d c o a l (Btu/ lb-wet c o a l )
(OF)
from t h e 12th column; p r e s s u r e i n s i d e t h e g a s i f i e r ( p s i g ) from t h e 22nd column; bed diameter ( f t ) from t h e 32nd column; i n i t i a l p a r t i c l e s i z e of f e e d c o a l (inch) from t h e 42nd column; f r a c t i o n o f v o l a t i l e m a t t e r r e l e a s e d during p y r o l y s i s , i n c l u d i n g hydropyrolysis ( - ) from t h e 52nd column; carbon conversion r a t i o (-) f o r "Design Case"; bed h e i g h t ( f t ) f o r "Simulation Case"
37
7th Row (Operating Condition) from t h e 2nd column; bed voidage (->
from t h e 12th column; heat t r a n s f e r c o e f f i c i e n t through t h e wall of t h e g a s i f i e r (Btu/hr ft2 OF) from t h e 22nd column; wall temperature
(OF)
from t h e 12th column; a c t i v a t i o n energy of char-steam r e a c t i o n (cal / g -mo1 e) from t h e 22nd column; e f f e c t i v e f a c t o r of steam-gas s h i f t r e a c t i o n from t h e 32nd column; r e a c t i o n r a t e c o e f f i c i e n t of char-carbon d i o x i d e atm sec) r e a c t i o n (g-mole/mole C from t h e 42nd column; a c t i v a t i o n energy o f char-carbon d i o x i d e r e a c t i o n (cal/g-mo l e )
P i t t s b u r g h No. 8 seam c o a l .
38
V.
SAMPLE PROBLETl
V-1.
The c a l c u l a t i o n s f o r a sample problem t o d e s i g n a g a s i f i e r o f P i t t s burgh No. 8 seam coal are shown i n p u t s a r e shown a f t e r t h e n e x t s e c t i Since t h i s example i l l u s t r a t e s t h e design of a g a s i f i e r , o u t p u t is t h e bed h e i g h t needed for a given carbon conversion ( s e e Table V - 3 ) . I f t h e program i s f o r t h e s i m u l a t i o n of a g a s i f i e r , t h e t h e bed h e i g h t i s r e p l a c e d by c
les V-1 t o V - 3 .
The computer o u t -
o f t h e output i s s l i g h t l y a l t e r e d :
conversion.
DZ ( i n l i n e 22 o f t h e main program)
LENGTH OF
When 'WIEIUPI
FT EXCEED
...
OF
G A S ' i n c l u d e s t h e p o r t i o n of t h e t a r
e s l i g h t adjustments if a program
l'MAXIMUM
'
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LI*
0 .
2:
..*
0 a. 1
a.
0 .
0 .
. . .
I
*
a.
0 .
0 -
a. a -
*n
( . I
0 .
0 .
.
i
I
1
CI.
.
i
I
I
iI
II
I
0 .
I'
w.
.
I
9 -
n.
a.
0 .
I .
.. . .
!
1
0 .
I'
Y.
P . 0LI
m.
I-.
0 .
8 .
. ..
I j
I
!
I
II ..
1
1(X*
"
mnmvwwnw-
, I .
. . ...I . . .
. . . ....
. I
I
I
I I
a
c
L
*. -. ..
9 . 4
O I
* .e
,
.a
.
::
1 :
.
I ' I I l
; , .......................
I
!m m . .
n
0
..
0 .
0 .
. .
mu
m.
N.
*.
i
m m m
0 .
..
I
w
..
m
I
i
I I I
nu
(9.
2 .
P.
0 .
..
rn
0
. .
m
a
a
m
-. ..
I .
. . .
m
mLI mm
I
as m am
e.
0 .
e.
DXI
. IX* .
<
KX
*I
i ! i
I
PU
*.
a.
(9.
0 .
..
I I
I I
9.
I
I
.. .. .. .
I I
n m
' ,-
1
, c
0
, .
.. . . ., .I
,
49
Figure V-1.
combustion zone, and the section from 1..1 to 7 . 6 ft represents the gasification zone. These figures do not include drying and devolatilization zones (see assumption 4 ) .
is the inlet temperature of the gas entering the devolatilization zone, and "T" is the exit gas temperature. In Figure V-2, the concentration of CO increases gradually along the bed height because of combustion and char-steam reaction from 0.0 to 4 . 0 ft. Over 4 . 0 ft the concentration of CO is almost constant despite the charsteam reaction. This is because the steam-gas shift reaction consumes CO and produces H2 and C02. The shape of Figure V-5 is related to that of In the com-
bustion zone, H2 Concentration is almost zero because of complete hydrogenoxygen reaction as shown in Figure V-5. Eigure V-6 shows that the amount
50
VI.
o r parameters i n t h e program.
c a t i o n is discussed.
In S e c t i o n VI-3, t h e v a l i d range of a p p l i -
VI-1.
Design map
For a given range* of temperature and a given range of h e a t i n g value f o r c o a l s , design maps can be c o n s t r u c t e d based on a s e t of o p e r a t i n g conditions.
the gasifier.
Case -
Pressure (PsigI
(%I
98 98 98 95
95
1
2
500
500
500
3
4
637
637 191
40
40
Other c o n d i t i o n s a r e as follows:
Coal : Mole f r a c t i o n of oxygen: Particle size: P i t t s b u r g h No. 8 Oxygen, 0.94 Air, 0.21 0.79 i n .
0.4
Bed voidage:
25
P = 500 psi$
Conversion
Goa(
Feed
= 98 % = 637 Z b / f t 2 h v
2c
IS
IO
5
rmax d 2 0 0 0
O F
CHV 3 3 0 0 B t u / S C F
0
2.8
3.0
3.2
3.4
3.6
3.a
Steam / C o a l ,
Figure VI-1.
52
= 500 psi$
0'
(0
0 '
/
3.2
2.6
2.6
3.0
Stearn/Coa() Figure V I - 2 .
53
soopsig Conwsion = 98 %
Air H o w
Pittsburgh No. 8
2.45
2.4
2.5
2.6
2.65
Steam/Coat
Figure VI-3.
5t
54
51
4c
30
OF
P = 4 0 psi$ Conversion = 95 % Coat Feed = 637 Ibyft'hr Air BIown Pittshrfh NO. 8
2.6
2.8
SteamAoaI, -
3.0
3. I
22
20
I5
10
Air Blown
Pittsburgh No. 8
2.2
24
26 .
Steam /Coal
2.8
2.9
Figure VI-5.
56
Heat t r a n s f e r c o e f f i c i e n t :
Temperature of wall, steam and a i r : Temperature o f i n l e t c o a l :
33.0 Btu/hr
ft2
O R
700'F 77'F
economical c o n s i d e r a t i o n i d e n t i f i a b l e w i t h i n t h e shaded a r e a .
57
VI-2.
VI-3.
V a l i d a t i o n of range o f a p p l i c a b i l i t y
58
Subroutine /Line No. MAIN MAIN MAIN MAIN MAIN MAIN MAIN MAIN MAIN
CPSOL
22
Variable /Equation
Expression Step size for integration along bed height Print all intermediate steps if true. Print iteration history if true. Plot figures if NPLOT is
Default Value a
2.0 (cm)
DZ
DEB
25 25
?6
FALSE TRUE 1
MON
NPLOT IRT. GT. Equation Equation
one.
29
147
148
Number of input data set Specific heat of carbon Enthalpy of carbon Upper limit of iteration along bed hei ht Maximum h i h e g ! = - DZ Molecular weight of tar Heat capacity of coal Rate of char-oxygen reaction Rate of char-steam reaction Rate of water-gas shift reaction Rate of hydrogen-oxygen reaction Rate of char-carbon dioxide reaction Rate of char-hydrogen reaction
(-1
(cal/g-rno1e O K )
(cal/g-mole OK)
209
J. LT.
AMW
240
2-3
(cal/gmK)
RATES 25-37 RATES 38-41 RATES 42-46 RATES 47-52 RATES 53-55 RATES 56-58
Variable /Equation
CKlO
Expression Reaction rate coefficient of devolatilization for lignite Activation energy of devolatilization for lignite Reaction rate coefficient of cracking for lignite Activation energy of cracking for lignite Reaction rate coefficient of deposition for lignite Activation energy of deposition for lignite Reaction rate coefficient of devolatilization f o r subbituminous coal Activation energy of devolatilization for subbituminous coal Reaction rate coefficient of cracking f o r subbituminous coal Activation energy of cracking for subbituminous coal Reaction rate coefficient of deposition for subbituminous coal Activation energy of deposition for subbituminous coal
CONSTK
El
16,200 (cal/g-mole)
6
7
8
CK20
8 x l1 o'
(l/sec)
E2
CK30
E3
CKlO
2 6 , 5 0 0 (cal/g-mole)
13
CONSTK
14
El
18,700 (cal/g-mole)
CONSTK
15
CK20
CONSTK
1 6
E2
27,750 (cal/g-mole)
CONSTK
17
CK30
CONSTK
18
E3
5,500 (cal/g-mole)
60
Expression Reaction rate coefficient of devolatilization for bituminous coal Activation energy of devolatilization f o r bituminous coal Reaction rate coefficient of cracking for bituminous coal Activation energy of cracking for bituminous
coal
Default Value
22
CONSTK
23
El
21,200 (cal/g-mole)
CONSTK
24
CK20
CONSTK
25
E2
29,000 (cal/g-mole)
CONSTK
26
CK30
Reaction rate coefficient of deposition for bituminous coal Activation energy of deposition for bituminous coal Density of coal
CONSTK
27
E3
7,000 (cal/g-mole)
BLOCK DATA
0.8 (gm/cm3)
AB Bc
cc
Coefficients of Cp in Subroutine CPH (for coJ co2, O2, H2J CH4, H20, N2) Heat of formation at standard state (for (COJ co2, O2, H2, CH4, H20, N2) Thermal conductivity of the particle for subroutine DEVO Initial coal density f o r subroutine DEVO Heat capacity of coal for subroutine DEVO
(cal/g-mole
*OK)
BLOCK DATA 10
HFO
THK
DENSO CP
4.0 x
=OK
(cal/cm sec)
1.0 (gm/cm3)
0.4 (cal/gm
=OK)
61
Table V I - 1 . Subroutine /Line No. (cont.)
Expression Reaction r a t e c o e f f i c i e n t s of-char-steam r e a c t i o n f o r t h r e e kinds of c o a l Activation energies of char-steam r e a c t i o n for three kinds of c o a l E f f e c t i v e f a c t o r s of steam-gas s h i f t r e a c t i o n t o account f o r t h e d i f f e r e n t type of a s h Reaction r a t e c o e f f i c i e n t s o f char-carbon d i a x i d e r e a c t i o n for t h r e e kinds of coal Activation energies of char- carbon dioxide r e a c t i o n for t h r e e kinds of c o a l
Default Value
BLOCK DATA 19
BLOCK. DATA 20
AE2
BLOCK DATA 21
WG 3
0.0155
0.014
BLOCK DATA 22
RX5
BLOCK DATA 23
AE5
42,000.0 30,000.0
62
t h r e e ranks, each having several k i n e t i c c o n s t a n t s f o r d e v o l a t i l i z a t i o n . Since such c l a s s i f i c a t i o n by rank is v e r y approximate, t h e program u s e r may have t o r e p l a c e t h e s e c o n s t a n t s w i t h more s u i t a b l e ones when d a t a is a v a i l a b l e f o r more s p e c i f i c c o a l seams.
and
10'. 80F
3.
may have t o modify t h e computer code t o account f o r t h e e f f e c t of p a r t i c l e breakup and temperature d i s t r i b u t i o n due t o t h e mixing a g i t a t o r s .
5.
The temperature d i s t r i b u t i o n a l s o depends on steam j a c k e t s around Hence t h e program u s e r needs t o check i n d e t a i l t h e type
t h e a b e d wall.
of g a s i f i e r t o be used.
6.
t i l i z e d carbon is s p e c i f i e d by t h e program u s e r .
63
NOMENCLATURE
= = =
Ecl
'ij
m a s s c o n c e n t r a t i o n of s p e c i e s i a t p o s i t i o n j (g/cm 3)
-OK)
C
D
Pi
= h e a t c a p a c i t y of s p e c i e s i ( c a l / g
= = =
diameter of g a s i f i e r (cm) e f f e c t i v e d i f f u s i v i t y (cm2 / s e c ) p a r t i c l e diameter (cm)
Ei
Eio
=
=
a c t i v a t i o n energy of r e a c t i o n i (cal/g-mole) a c t i v a t i o n energy of s t e p i i n p y r o l y s i s (cal/g-mole) emissivity of the p a r t i c l e geometric f a c t o r r e l a t e d with r a d i a t i o n h e a t t r a n s f e r h e a t of r e a c t i o n of r e a c t i o n i (cal/g-mole) h e a t t r a n s f e r c o e f f i c i e n t (cal/cm2
-OK
=
= = = =
F
Hi
h
hC
sec)
O K
sec) sec)
=
=
= =
O K
reaction r a t e c o e f f i c i e n t of s t e p i i n p y r o l y s i s (I/sec)
k f i1 m
kS
= = = = =
=
sec
atm
sec)
f r a c t i o n o f t h e c o n t a c t s u r f a c e a r e a of t h e p a r t i c l e w i t h h e a t i n g elements
*i
Ri
R j
sec) sec)
r a t e of g e n e r a t i o n of s p e c i e s i (gm/cm3 r e a c t i o n r a t e of r e a c t i o n j (g-mole/cm 3)
64
NOMENCLATURE (cont ) R =
gas constant (atm temperature
(OK)
c 3/gm-mole m
OK)
T
TW
= = =
= =
(OK)
V
V.M. wi
(WL)i
time (sec)
flow rate (g-mole/sec) weight f r a c t i o n of v o l a t i l e m a t t e r i n daf c o a l
X1
X
z
%ed
PC
= bed voidage
= = =
3 d e n s i t y of coal (gm/cm )
Pi
Q
sec)
65
REFERENCES
1.
Anthony, D. B . , J . B. Howard, H. C. H o t t e l , and H. P. Meissner, Proceedings of t h e 15th Symposium on Combustion ( I n t e r n a t i o n a l ) , Combustion I n s t i t u t e , Pittsburgh, Pa., 1974, p . 1303. Anthony, D. B., and J . B. Howard, AIChE J . ,
2.
22
( 4 ) ; 625 (1976).
3.
4.
Elgin, D. C . , "Results of T r i a l s o f American Coals i n Lurgi Pressure G a s i f i c a t i o n P l a n t of Westfield, Scotland," Proceedings of S i x t h S y n t h e t i c P i p e l i n e Gas Symposium, Chicago, I l l . , October
1974.
5.
6.
Feldkirchner, H. L . ,
F i e l d , M. A , , D . W. G i l l , B. B. Morgan, and P . B. W. Hawksley, "Combustion of Pulverized Coal," BCURA, Leatherhead, 1967. Gadsby, J . C . , N. HinshClwood, and K. W. Sykes, Proc. Royal SOC. (London), A187, 129 (1946).
10.
11.
Jensen, G . A . ,
1 1 145 3,
(1974).
12.
13.
--
14.
Klei, H. E., J . Sahagian, and D . W. Sundstrom, Ind. .Eng. Chem., Process Des. Dev., 3, 470 (1975). Chern. Eng. Prog., 5 8 ( 3 ) , 33 (1962).
7
R u s s e l l , W. B . , (1979)
D. A. Saville,
Singh, C . P . P . , and D . N . S a r a f , Ind. Eng. Chem. Process Des. Dev., - C3), 313 (1977). 16
66 REFERENCES (cont ) 18. Solomon, P. R., "The. Evolution of Pollutants During the Rapid Devolatilization of Coal," Rep. NSF/RA-770422, "TIS PB 278496/AS, 1977. 19. Solomon, P. R., T h e Evolution of Pollutants During the Rapid Devolatilization of Coal," Rep. R76-952588-2, United Technologies Research Center, East Hartford, CONI., 1977.
20. 21. 22.
Suuberg, E. M., W. A. Peters, and J. B. Howard, Ind. Eng. Chem. Process Des. Dev., 17,37 (1978).
4,
Wen, C. Y., and J. Heubler, Ind. Eng. Chem. Process Des. Dev., 142 (1965).
23. Wen, C. Y., "Optimization of Coal Gasification Processes," R & D Report No. 66, 1972.
24.
"Coal Conversion Technology,'' edited by Wen and Lee, Addison Wesley Publishing Co., 1978. Wen, C. ,Y : and S. Tone, ACS Symposium Series, No. 72, Chemical Reaction Engineering Reviews, Houston (1978). Wen, C. Y., and L. H. Chen, "A Model for Coal Pyrolysis," paper presented at ACS National Meeting, Washington, D.C., Sept. 9-14, 1979. Yoon, H., J. Wei, and M. Denn, AICM J., 24, 885 (1978).
25.
26.
27.
67
Appendix A
68
Main Program and Subroutine INPUT, RATES, CPH, CPSOL, CRECT and DEVO
AB, BC, CC AC
coefficient of specific heat correlations fraction of undevolatilized carbon to fixed carbon ash flow rate (gmlsec) flow rate of air (lbjhr, g-mole/sec) fraction of fixed carbon and volatile matter in coal molecular weight of tar cross-sectional area of bed (cm ) ash content in coal (wt %) carbon feed rate (gm/sec) concentration of carbon (g-rnole/cm
3
)
AF
AIR
AMF
AMW
AREA
ASH
C
CAR
cc
CCOM CDEVOL CI R
carbon feed rate into the reaction section (gm/sec) estimated amount of carbon consumed by combustion (fP/sec) amount of carbon consumed by pyrolysis (gm/sec) bed circumference (cm) amount of carbon consumed by hydropyrolysis (g-mole/ sec) coal feed rate (lb/hr, gm/sec) thermal efficiency (%) core radius/particle radius amount of unreacted carbon at the exit (gm/sec) specific heat of gas and solid (cal/g-mole cal/gm OK) OK,
CMET
COAL COLDE CORE
corn
CP, CPS CPGIN CPMG I N
molar average heat capacity of inlet gas (cal/OK) array f o r table outpuz
cs
69
D DCARBO
=
=
a r r a y used by l i b r a r y s u b r o u t i n e NLDEQS amount of carbon consumed by p y r o l y s i s (gm/sec) amount of CO, C02, (g-mol e/sec) logic21 v a r i a b l e .
K O , DC02,
DEB DF (1)
---
---
formed during p y r o l y s i s
=
= =
P r i n t a l l intermediate s t e p s if
its content is t r u e .
d e r i v a t i v e of F w i t h r e s p e c t t o Z amount of gas formed during p y r o l y s i s (gm/sec)
DGAS
D IA
DP
DTAR
DZ
E
= v a r i a b l e used by l i b r a r y s u b r o u t i n e NLDEQS
=
bed voidage equilibrium c o n s t a n t f o r r e a c t i o n 2, 3 ,
EP
EQ2, EQ3,
--
---
ER
= c a l c u l a t e d values: temp, flow rates of carbon, CO, C02, 02, H2, CH4, H20, ( O F , gm/sec, g-mole/sec)
FC,
..
FASH
= =
mass f r a c t i o n of C ,
..
ash i n c o a l
same as F
f i l m l a y e r mass t r a n s f e r c o e f f i c i e n t (g-mole/cm3 sec atm)
f i x e d carbon c o n t e n t i n c o a l (wt %)
= =
= =
=
70
HFO
HLOS
cm)
HR
HT
= heat of reaction (cal/g-mole) = bed height (ft, cm) = heat transfer coefficient (Btu/hr cal/sec cm2 * O K )
HTC
HV HVCOAL HVG
ft2
OF,
IND
ISW
I T
Imp
iteration counter
=
=
coal type counter for array CS ash layer mass transfer coefficient (g-mole/atm sec) logical variable. Print iteration history if its constant is true. cm3
J KASH
MON
= =
N, N S F , N154
OAIR
P
PA PGAS
PI
PVOI D
* particle voidage
= =
R
RATE
cm3 )
71
RHOC
RMO I ST
RTG, RTS
SH
Sherwood number
total solid output (gmlsec) steam feed rate (lb/hr, g-mole/sec) total gas flow rate (g-mole/sec) total solid flow rate (gm/sec)
a
3
sour
STEAM SUMG
SUMS
T
TAIR TAR TB TCOAL
temperature
(OK)
[OF)
C , H. 0, N
TEST3,
TGIN
..
=
=
rate of consumption of each gas species (g-mole/sec) feed temperature of gas mixture
(OF)
THL
'IMAX
TSTEAM
T W
(OF)
VEL
VM
VMD
WMI
xc
XCAR, XASH
xco,
..
..
, H20
in gas
72
X1,
.., X 8
array to store temperature and concentration p r o f i l e s distance from bottom of the bed (cm)
I = 2, carbon I = 5, o2
I = 3, co
I = 6, H2
I = 8, H20
CK1 CK10 CK2 CK20 CK3 CK30 CNST CNSTW COAL0 CP CPW DEFF DEML DENS0 DENW DH DP
DYCI)
i n i t i a l c o n c e n t r a t i o n of c o a l (gm/cm )
heat c a p a c i t y o f c o a l Ccal/gm
OK)
OK)
2 molecular d i f f u s i v i t y (cm / s e c )
i n i t i a l c o a l d e n s i t y (gm/cm 3 ) d e n s i t y o f t h e h e a t i n g elements (gm/cm) h e a t o f r e a c t i o n (cal/gm) p a r t i c l e diameter (cm) dependent v a r i a b l e s i n d i f f e r e n t i a l e q u a t d n s (gm/cm ) a c t i v a t i o n energy of d e v o l a t i l i z a t i o n (cal/g-mole) a c t i v a t i o n energy of c r a c k i n g (cal/g-mole) a c t i v a t i o n energy o f d e p o s i t i o n (cal/g-mole) e r r o r t o l e r a n c e i n l i b r a r y s u b r o u t i n e DREBS f r a c t i o n of t h e c o n t a c t s u r f a c e a r e a o f t h e p a r t i c l e w i t h h e a t i n g elements current s t e p s i z e (sec)
2
El
E2 E3 EPS FR
74
HMIN
HOV
= =
= = = = = =
overall heat transfer coefficient of the particle sec) (cal/cm2 O K overall heat transfer coefficient of the heating elements (cal/cmZ O K sec)
e r r o r indicator in library subroutine DREBS
HOVW
IER
IND
INDP
convergence indicator in library subroutine DREBS indicator for printing the results the maximum order of the rational approximation in library subroutine DREBS input indicator in library subroutine DREBS the number of equations in the system
m
JSTART
N
P RT
= pressure (atm)
=
s (1)
SHN
SIGM STEP
Shemood number Stefan-Boltzman constant (cal/cm2 * step size in the time scale (sec) time (sec) char concentration (gm/cm3 ) calculation parameter (gm) solid temperature
(OK) O K
sec)
T
TCD TCM TEM
=
=
=
= =
TEMF
TEMO
TEMWP THK TWLG
(OK)
=
= = =
(OK)
temperature change due to the heat of reaction thermal conductivity of the particle (cal/cm sec) total weight loss of gas (gm/gm-feed coal) total weight loss of tar (gm/gm-feed coal)
(OK)
O K
TWLV
75
WD, WDP
WG B
WS G
WLG
WLR
WLV
weight loss of gas at time T (gm/gm-coal) total weight loss at time T (gdgm-coal) weight loss of tar at time T (gm) molecular weight of inert gas (gm/g-mole) molecular weight of gas (gm/g-mole) molecular weight of tar (gm/g-mole) mass concentration of tar at the bulk stream outside t h e particle (gm/cm3)
WI M
WMG
WMV
WVB WS V
x1
x2
weight fraction of tar formed during devolatilization step weight fraction of gas formed during devolatilization step dependent variables
tration
76
77
---C
c
I
C C
Ir
PROGRAM MRS ( M O V I N G BED COAL G A S I F I E R SIMULATOR ) W A S D E S I G N E D TO SIMULATE A COUNTER-CURRENT N O V I N G BED COAL G 4 S I F I E R OF THE LURGI TYPE I T H A S TWO FIJNCTIONS I CALCULATE CAWHON COiYVERSION I F B E D HEICHT IS SPECTFIED, O R C A L C U L A T E BED HEIGHT IF C A R B O N CONVEWSIONJS S P E C I F I E D , - ___ __ - - --
DEVOL --INIT
DFNN DFN --- X , U L
----
CONSTK
T O HANDLE DATA INPUT TO CALCULATE REACTION RATES (GMOtE/CM3-S) TO CALCULATE THE HEAT C A P A C I T I E S A N D E N T H A L P I E S OF GASEOUS S P E C I E S TO CALCULAT THE HEAT CAPACXTY OF C O A t T O A D J U S T - X C B Y SECANT hETHOD TO CALCULATE THE AMOUNT A N D COMPOSITION OF VOLATILE PRODUCTS TO C4LCObATE THE AhOUNT OF VOLATILE PRODUCTS TO CALCULATE THE I N I T I A L C O N D I T I O N S FOR S U L V I N G THE D I F F E X E N T I A L EQUATIONS ( P Y R O L Y S I S ) TO CALCULATE THE COAL CDHCENTRATION [ P Y R O L Y S I S ) TO SUPPLY THE D I F F E R E N T I A L EQUATIOFiS FOR SOLVING MASS AND XONCENTRPTION OF S P E C I E S ( P Y R O L Y S I S ) T O GET THE RATE CONSTANTS FOR S P E C I F I E D K I N D O F COAL
(PYROLYSIS)
3003-3004
3OQ! 3006 3007
~002
3006
>oos
IO17
--COMMON _ I - D 6 - / EP HTC, 'fW _ _ _- - . ___ . --- COMMON / RP / RA*Et6) COMMON / X X / XCO XCO2, X O Z , X H 2 , XCH4, XH20, XCAR, XASH COIYE(ON / FF / F ( 8 - - -- - -__ _.___ - - -- - - - .. -______COMMON-/.. HE - L . . H ( 9 p - - C P ( 9 ) CQMMON / R H O / RHOC COMMON / R D / C e CCOH, AC COMMCN / DEB / U K ------DIMENSION X l ( 3 5 0 ,X3t3501 X 4 ( 3 5 Q ) , X 5 ( 3 5 O ) ~ X 6 ( 3 5 O l , X 1 ( 3 S O ~ ~ % ~ ~ 3 5 0 1 DIMElvSiON y1(350!, I c H A R t f A DIMENSION PGASt81, C S ( 3 5 0 1 0 HV(6) T A R ( 3 ) p HR(6) DIMENSION E(81, DFt81 I FI&8), D ( 1 2 4 1
.
COMMON / D l / RMOIST, V M F I X C ASH COMMON-CD2-I>-C E X + - F O :-EN I - FASH --S COMYON / D3 / C O k , STEAM, A f R , 6 A I R , TCOAL, TSTEAH,- TAIR---'---COMMClN / 04 / I V D I T Y P E COMMON / - D S / HVCdAL, P D I A , D P , V M D , P A
IO1 5
1021 1021
)024 1025
1023
102c
I025 102
3031 --
6 3 H 2 7 * CH4 8 t H20 -- - - - - ~ c - NPLOT = IRT = 0 111 IRT = IRT + 1 I F ( I R T GT, 1 ) STOP _ _ C A L L INPU'P I F ( DEB ) WRITE ( 6 , 6 8 1 Ir
C
I S T
2 = c
co
4 9
c02 N2 - --
5
. -
02
- _
__
-_
_ ____ _ _ _
-
__
--
3031
2 C
- --
_-
--- -
__
--
__ _-
COAL
4 5 3 a 6 1 3600.0
0033
0036 037. --8030
8%
+
-
_-.
M = (
f
0039
0040 04 1
0042
a L
- c f
--0044 0045
= ('P-+ 14 7 HTC = HTC * 5 5 2 e o 3600 _. __ _. DP a DP * - 2 . 5 4 IF ( DEB 1 WRITE (6,101 COAL, STEAM, A I R , TCOAL, TSTEAM, T A I R , + P, HTC, TW .__ __
P
.
~
*J6
O * (
600 0
1 1. -8-
+
.
78
1 J
J0/] *
0043 0046
. -
DIA
DIA
* * * 30 100,O
48
--
30.48
RMOIST
*_-PI
w
/ 4.0 A S K ) -j
(-ioo,o-i-~
A = COAL FASH F 0 0 5 0 - - - --CCOK-= K - = -dCO AIR -* *- O A IOLh -fUwc ,) c ) - - -- @ , 0051 CC f C AC 0052 FN2 AIR ( 1,O OAIR 1 0053 X N D ,EQ, 1 1 XC = PA *-3%4p -3 0 5 4 - 5 4 r F 3 0 IblD-,EQ,-L HT--A*-3%4P i i - k I N N D ,EQ. 2 V X C a 0 ,e999 I D O 9 0055 e
C C
COAL COAL
= * *
* FC *F C
___
I
0057
0056
0058
0059
0060 0061
0062
I GAS -c---- N L E T - TEMPERATURE CALL CPH 9, TAIR ) CALL CPH 5 , TAIR 1 CALL CPH ( 8 , TSTEAM 1 r __ -___ _ _ __ ( 1 0 O4IR I CPC91 + O A I R CP(5I CPGIN CP(81 CPHGIN = A I R t CPGIN + STEAM TGIN = ( A I R * CPGIN T A I R t STEAM CPC81 * TSTEAM -E- - ___ -~ _ _ _ _ IF ( DEB I WRITE ( 6 , 1 6 1 TCIN
_-
) /
CPHGIN
-
0063
-c- C
C C INITIALIZATION
I T Fi 0
I
0
0065
0064
0070 -0071-
0868 0069
0066 62-
1-
XC 1
--QO
__
0072 0073
c;
_ _ __
= = = = =
-
TGIN COUT
0-0 A ~ R OAIR 0.0 STEAM
__-
0,o
~-
0000 -6081
_.
\ .
IF IF
_. . .
__ - - _ _ .
__
L O O - - -
0089
8%8 8 00
0085
79
--nnQlisLLMC-FW
FIRST CALL MLDEQS, INTEGRATION INITIALIZATION C nnQd/LGNLDEO+L&L,--WF-&--EZ " p-&--N,--ISW~-TB,-Z+-DZ~ B r N 154.cC BEGINNING OF INNER LOOP OF INITIAL VALUE PROBtEM " _L % 1 4 O . d NT I NU E C C TOTAL GAS FLOW RATE C
0100 0101
00 .
0102 L l . Q 3 -
L l - l l - l -
C MOLE FRACTION OF GAS a b XCO = F(31 / SlJMG -- d C 0 2 - - = F [ 43 I S U M X02 = F(51 / SUMG' XH2 = F ( 6 ) / S U M G 4 f Fig! SJ;G C C TOTAL SOLID PLOW HATE
a r o a L u u - n n F J a
C
CI
i
H M
P 0111 T = F(1) CALL RATES ( T 1 0112 a L -----.0113-D-80 K - t L 3 0114 180 IF c R A T E ( K I ~ L T , 0 . 0 011s DO 200 K = 4 , 6 0116 ZOO IF C RATE(K1 ,LT. 0 0 .
I RATECK) 1 RATE(K1
O'
f
00 .
00 .
-0 18- _ _
...
__
-)--T4 = m R A T E ( 3 L RATEC31- L E' f 4 J * AREA DZ ' = ( R A T I ~ S TEST4 ,LE. F(41 I GO T O 220 TEST4 .LE. 0.000 01 1 GO T O 220 SI = RATE(5 l * F ( 4 1 . / TEST4 T 4 ,EO, 0 - 0 I GO T O 220 3) T4 F(41 / TEST4
0 0
-:.;
* *
~ _ _ _
i20
TEST6 = ( T4 + RATE(4) + 2,O RATEC6) IF ( TEST6 ,LE. F(61 I GO T O 2 4 0 - - I F ( TEST6 .LE. 0,00001 1 G O TO 2 4 0 = HATE(41 F(61 / TEST6 = RATE(61 F(6) / T E S T 6
AREA
DZ
-
!f%::{
- -
130
C
yr
IF
T4 .GT. 0,O
I RATE(3)
z:
RATE(31
F ( 6 1 / TEST6
c co
240
80
1 2133 134 135 136 137138 139 140 141 142143 144 145 146-
ljl
-I -F
yr
TEST3 = RATE(3) AREA DZ - --TEST3 ,LE,-F(3J GO--TO 260--------T E S T 3 LE. 0 000 1 1 G O T O 2 6 0 HT(1 !f1 = F l 3 1 dATE(31 I TEST3
4*
--
560
=
RATE(3)
RATE(2)
F(81
RATE(31
AREA
DZ
--
RATE(3) / TEST8
RATIO = 1 0 = ( RA~IO 2 o I + TESTS-= - ~ - A s - * ~ T E ( ~ ) IF T E S T S ,LE, F ( 5 J 1 IF TESTS .LE. 0,0000 RATE(1 = RATE 1 FC ~ATEC4E--R~SE~4L*--C( c" SPECIFIC HEAT OF COAL "
580
AS
147148
I49 150
153 154-
ta
155 156
157 158 159 160 161
CALL CPH 9, T 1 CPMG = CPt91 FN2 329 K = 3 . I CALL-CPH ( K ; T I CPMG = CPMG + CP(K1 3 2Q 2 0 N T I N U F C C HEAT OF R C -RATIO HR(11
F(K1
_-
-_
- - - --
+ /
HR(6
DF 2 P AREA RATE 1 1 + RATE 2) + RATE(5) + RATE(61 3 12.0 RPTEtl) RAT1 - / - - t - i , O + RATIO I + RATE(21 t AREA.* +DF(4) TE(3) + * ( * RATE(S1/ ( 1.0 + RATIO ) + RATE(3) R 2.0 = AREA RATE(1) 164 + * RATECS) 3 ( RATE 1) f .(-f,.O l -a - JF(5) =: AREA +.RATTO / 20 ) ' / ( 1 0 . . + + RATIO I RATE(4) / 4 . 0 1 OF 6) t AREE * ( RATE(2) + RATE(3) RATE(4) 20 . RATE(61 1 166 AREA * RATEC6) 167 - .- - 168 -_----OF a E A R E A * A RATE(4) * RATE(2) w RATE(3) I a 8 HEAT GENERATION C 169 HR(3) +A8 f ( -HR(l).*.RATEClI ) HR(5) RATE(3) I HR(6)E A RATE(6) 1 AREA A9 t -HR(2 RATE 2 RATE(5) AR 170 A10 = HR(4j * RATEIQ) AREA 171
if!
--Fji ~D'3
-* *
C HEAT LOSS C
c.
-*
* *
*
-
- -
0011: 0174
HLOS
THL
IF
( HLOS
E
HTC
THL
,LT
CIR
HtOS
0,O 1 HLOS
02
* *
T W
d.0
81
9187
4194
0191
019;
1
0191
0196
FLOW RATE 4 6 U U M G = - F L DO 380 K 3 8 IF ( F(K1 L ' f m 0.0 1 F(K1 i 0 , O 380 SUMG = SUM6 + F(K1 A T = F(11 IF C T , G T , THAX 1 T M A X = T VEL o S U M G 22400.0 * r ( P + - e A G E DU-YEL - R T G - 2 TOTAL S O L I D FLOW RATE 0
a
TOTAL
GAS
273,o
* _AREA ___
__
RTS
VEL
UMS
10 .
EP 1
AREA-)----__ -
--
_. .
____
- . .
___._ -
0205
--c.
_.._
__ -.
__
. -
0212 0213
2 / 30 4 0
-._- - - __ ___ __
--
(6r60'
I214 ,215
I216
,217
,218
yr
-.
F121
1225 ,226-
,223 ,224
1320 ,231
1232
_____
1233
- C - E N D -OF.-QUTER-LQQP C
C DEVOLATILIZATION
#-(8) t 2Q.O
O--*-F-(4
-+-32
?id2
0-
PC51-+-2.4
*-F(6)
-+
1241 )242
F(31
F(31
+
+
DCO
DCH4 DMOIST
)243)244 1245
E
I
F 8
)246
+ OH20 + TAR(1)
CMET
lZOO
)252
I257
I258 1259
CALL CPH ( 9 , CPMG = CP(91 DO 5 8 0 K f 3 , CALL CPH ( K D 580 CPMG = CPMG + CPMG CPMG - --T = T CPS F(1) 3 T C
--
_____
/-CPMG
/ AMW
DHZS)
-_
C GRAPHICAL OUTPUT fl
83
E TABLE OUTPUT
P
-660--CS
328 1 3262- - 3 O U O N I I I I N I I E C ?2%3 PGAS(6) 00 . 3284 ( FN2 + DN2 ) 100.0 / SUMG 3285 P p G ~ I ; ( L = _ D H ? S - * l O e , c r J - s u M G - - CPS = CPSOt ( T G I N 1 r, b - d U M G - + SUMC Jb-36OOt0--/-453 6 _ _ _ _ . _ _ _ _ _ _ _ _ _ SOUT = ( COUT + A f 1 3606 0 1 453.6 COAL = COAL * 3 6 0 9 . 0 / 4 5 3 . 6 THL r: THL I 3600 0 / 252.0
m 1280
9278
3276 1277
--
--J,K -= F(k)--* 3 6 0 0 0-/-453.6---a CSIJ,i{ T 1.8 - 4 6 8 . 0 ? EVALUATION OF E F F I C I E N C Y , ETC. -STDE 8 1 0 . C F(8) DMifST DHZO 1 / STEAM a b SUMG 0 SUMG F ( 6 l + DTAR / AHW HVC-r~--94052,-OJILTAR(1)--+5~798~*-TAR(2)--)-/--(-SUI4G-t AMW- 1 DO 6 8 0 K 1 6 680 HVG s HVG + kV(K) F(K+2) 1 SUMG HVG L: HVG 537.0 / C 252.0 0.791 520.0 1 rSUMG 3 SUMG DTAR / A M W DO 700 K = I 5 PGAS(K1 = FCk+2) 100.0 / SUMG
DO 6 6 0 K
-* -
II
. -
.-___---
1 2 -I
1 8---466,0-.
TARCK)
TAH~K
--*
460.0
460.0
___ - __ --
347.46
100.0
/ C HVCOAL
COAL )
100.0
I DT-AR
02-990304 0 3 0 __ 0303
0304 0305 0306
0307 0308 0309
.
0298
0300
- --
?60
--
WRITE
WRXTE
HVG,- T r - DTAR,- SOUT, T G I N , THL,
WRITE 6 , 5 8 HT WRITE t 6 , 6 4 3 XC.
0311 Ob12
0310
__
I F ( NPLOT .NE.
1 1 GO TO 1 8 0
e!
.-
__
--
480
GO TO 1 1 1
C
a
SUBROUTINE INPUT
V M , FIXC ASH FO - F N f S PASH-'EAk, A f R , bAIH, TCOAL
'DF
85
TJTEAM, T A I R
1,201
XC IASH
20
WRITE ( 6 3 8 5 WRITE ( 6 ,40 I RMOIST, V M , FIXC, A S H ---G- - . FORMAT 1Hl 8 30 FORPAT / 1 35 FORMAT 36 -FORMATL'X;3a C / 40 +FORMAT 'VOLATILE', + fCARBOll1 / 3 - F 0 R )1\ A T-- C l C 0 -4 2 - FORMAT ( 1 CO 44 FORMAT ( CO 46
1
1x
SI NPUT-, s I ASH
b~
i1x 1
lo('*')
ous
MIt!OU '1 1
.'
tflQfSTUREf 'MATTER' I
2Xp
50
a
FORMAT C / /
+ I
OXYGEN
(/
I
-'
/ / 7 X , 1 ARBON / 3 X t 5F 0 3 ) .
HYDROGEN',
COAL FEED RATE 0 I , F':':i; LB/HR'/ FEED HATE--.-3- I P - PfO, LB/HR 1 / + I A I R FEED RATE 3 1 LB/HR I/' + 1 MOLE FRACTION OF OXYGEN IN AIR 3 FlO, / + TEMPERATURE OF COAL F1093, + L-TEMPERATURE OF. STEAM _ _ -.= 8 I ' FlO.3, I F I / + TEMPERATURE OF AIR tu F10,3, a b WRITE(6 7 0 H V C O A L , P D I A DP --IF1Nb-,lO.-l - -WRfTE-(h,72 - ____ -IF I P O EQ, 2 { k R I T E ( 6 , 7 4 WRITE ( 6 , 7 9 1 EP, HTC, TW C RRKZ .NE, ,OD1 'I RKZCITYPEI t RRKZ RAE2 ,NE, , O D 1 { AE2fITYPE t RAE2 WC31ITYPEj : R Y G 3 : RkG3 .NE. ,OD1 R R K S .NE. .OD1 R K 5 I T Y P E P RRKS - m - -RAES .NE. .OD1 AESIXTYPE] e: R A E S - __ b WRITE (6 8 0 ) RKZCITYPE e AEZ(ITYPE), WC3(ITYPE), + RK5(ITYbE) , AESCITYPE { -c HEATING = F10,31 BTU/LB 70 +F O R M A T ( / / 1I PRESSUREVALUE-OF COAL a 1 : F10.3, 1I PSIG 1 /1 /
____+---!-STEAM
c 60
FORMAT
';
.-
..
-..
-. .
+ + +
FT 1 / l3CH t /
86
80
LETURN END
+ + FORMAT - e - . __ + +
--
SUBROUTINE CPH(M,T) COMMON / HCAP / AB(7) ,BC(7) ,CC(7) tHFOC7) COMMON / HE / H(91, CP(9)
2 9 8 1 T= 2 9 8 I F C T ~ C T .2006.) T= 2060, - --
TT = T IF(T,LT.
-- -
5 6
END
RETURN
. .
..
053
055
054
400
C
IF ( X C 0 2 LE 0.0 1 GO TO 5 0 0 E05 t E X P t 26 9238 20281 8 / T ) RATE ( 5 = H K 5 (IT* P E ) * E X P ( - A E f , I T Y P E / ( 1 0 9 8 7 * T )1W A R + *P* tic02 " P XCO xco E05
-*
87
057 358-
056
$00
II
IF ( X H 2 , L E , 0 0 GO T 600 E06 0 LXP ( 13,4489 + PO998 5 / T 7 0869 8Q37 5 - / . R A T E ( 6 ) - = -EXP + SQRT ( P X i H 4 1 E06 1 I CAR
- *
-*
i.->-# - * -(-p
XH2
I).----
361
)61
r C
RETURN
10
FORMAT
('
FROM RATES
T, RATE
1,
7Ei506
I63
END
10 1
102
)06 JOT
108
,os
)04
103
SUBROUTINE DEVO ( W M I , T, CMET, DCO, DCO2, DHZ, DCH4, DH201 DMZ DH2St DTAR, TAR I C DIMENSSON TAR(31 LOMMON-L-Dld-RMOIST p-VM-FIXC ASH COMMON / D2 / FC F H FO, PN fi FASH COMMON I D 3 1 COAL, ATEAM, AfR, 6 A f R , TCOAt, TSTEAM, T A I R COMMON 1 F F / F(81
-CQMMOK_LRlLl'CCO#-,-AC
-_
TO
UQ
109
TT
TCOAL
0
23-
20 21 22
15 16 17 18 19--
12 13 14
11
----CALL-DEVaLt41ML-~Q-AR-GAS ) C DTAR=O, 2 C DGAS=O. 5 T = TT AM!! =V &M + FI%C--)- COAL i O O , L / DGAS DGAS AMF AMF COAL DTAR E DTAR TOTAL = DGAS + OTAR cCDEVOL = TOTAL ( FH + FO + FN + FS 1 C O Z CMET = ( 1.0 AC 1 * FC * COAL CDEVOL
L_--
* *
L
c
IF ( CMET G E 0 0 1 GO TO 1 0 0 . A S - 5 - ( - - T d T A L i - CMET. -5-OCAS-/-TOTAL DTAR ( TOTAL + CMET DTAR / TOTAL TOTAL = TOTAL + CYET
--
* *
!*
_-
CMET
CO-TUDb
0 0
24 25 26-
27
29 30
28.
--TOTAL=..
c
31
* * *
3 233 36
37 38
41 42 43
4= 4 A 40
34 35
-.
39
_.
G H a FH ... -. = FO COAL TAR(2)( 3 ) 2.0 s.DH2S COAL TAR GC DGAS COXY GH a D N 2 28.0 DHZS 3400 ----R a GC / F ( 3 ) + F ( 4 ) + FC7) ). R = R / l , O DCO = F(31 R DCO2 f 4 R .DCHQ 5 F!7! R - -- . -. D H 2 0 8 GOX / 1 6 . 0 DCO DCO2 2 0O H 2 a t GH 2.0 DH2O 4.0 DCH4 I / 2 . 0 RETURN . . . . . .- .. ~-...
GOXY
f
** 4
- -** *
. ..
.-
. .
- * - --
**
F . 8
88
1004 1005
1006 1007
,009
101 0
?om
1014 1015
3026
1027 20291030
1020
1031
1037
1032
3060
3059
3065
0074 0075
IF(J NE 1)GO T O 15 89 30 DO 3 1 K t = l 0 6 31 CONT N U Y(KLl=oto 15 . WLV=(DP/2C.O* l /(Xl*CKl*COAL/3 Om(CKZ+CK3) *TCM) I /DP*6,0 ---dLG=(DP/2 0*CK2tT M DP*6.6 ____ _IF(WLV GL.0 O E G O TO 37 WLG=3 I 6*CK2STCM+CK2/ (CKZ+CK3)*WLV WLV=O. 0 - -- - 37 TWLV=TWLV+WLV TWLC=TkLG+WLG TWL=[TWLG+TWLV)*STEP WVS=WLV*DP/6,0*DP/DEML/SHN+WVB ___-- W G S O In L G U P / 6 0 D P J D EML 1S h N+ WGB WLR=hLV+kLC TEMWP=-DH*DP/6 O/HOV*WLR*COALO HOV=THI( ( l . O + d I /DP/2,O+s1GM*(T~MW*TEMW+TEMO*T~~O)r(TEMW+TEHO) ---DENSZ(l O - T C I , ] * D E N S O ~----CNST=6,d*HOV/DP/CP/DENS IF(WLV.EQ,O,O,AND,kLG.LT,5,O~a2~ GO TO 88 3 CONTINUE __ 88--T T k L V 1sT E:P *T W LV TTWLG=STEP*TkLG IF ( DEB 1 WHITE ( 6 , 1 0 1 T,TTWLV,TTWLG,TWL RETURN .4X&TIME FOR PYRQLYSIS-= -1 F10.3 I --SEC! --O--FORMAT(// * I 4 x W I ~ H T LOSS OF T A R = 1 , ~ 0 . 4 , 3 OF O A I G L N A L ~ E I G H T $04 4 C ~IkEfGHT LOSS O F GAS =: l,FlO,4,1 FRACTION OF ORIGINAL WEIGHT A L ~ */ X * O # - C ~ A L I* / 4X ITO'fAL WEIGHT FR~CTIOid-OF-~RIGI-NAL SWLIGAT OF' C O A L ! ) LOSS OF COAL =l,F10,4, RETURN
. .--
* *
FRAETION
SUBROUTINE INIT(TEM,I,STEP,Y,WL) 0001 REAL Y(1 R(1) s ( 1 ) WK(29) 0002 COMMON ,dA/Xl, f2 ,CK! ,COAL rCK2 C K 3 ,DEFF,CNST,COALO 0003 COMMON/CC/DP 0004 -_ __ - - - . 000~OATA-HMXN,EPS/1~OE~5,l.OElb/DATA N JM,IND/1,6,3/ 0006 DFNN 0007 IF(FLOAT(I),NE,l,OIGO TO 11 0008 - .----0 0 a a 1 0 Y(lI=l 0 -0010 C O A L =1 i I ~ DO 1 2 K = 1 , N 001 1 0012 S ( K ) = Y CK) 001 3 A 3 C 0N T IN U E 0014 RTtO 0 0015 JSTARTrO 1 1 H=O 001 0016 ___ - _.--- --.R=S+EP*FLOATCI-I) 00170018 1 IF(H.GT B-RT]H=B-RT CALL DREES ( D F N Y Y, RT,N,J M , I N C , JSTART,H,HMIN ,EPS,R ,s, W K , IERI 0019 0020 IF IER,NE o R E T ~ R N _FtRT LT 6 ~ i ? i M U l - . G O - T O ~ o 002o 2 Y c o A L = Q( 1 f RETURN 0023 END 0024
90
EXTERNAL
__--
0005 -
END
..
. . .
SUBROUTINE C O N S T K ( f T Y P E , V M ~ X 1 , X 2 , C K i O , C K 2 O ~ C K 3 O , E l ~ E 2 ~ E 3 ) IF(ITYPE.EQ.1 GO TO 3 IFCITYPE E0a2jGO TO z CKlOc5 1t4 ~ 1 ~ 1 6 2 6a0 CKZO=R O k l O E2=24560 0 CK30rl 1t3 -_ E3r400b.O - __ - _ _ _ -- -. X1=0,95*VM+0,02S x230.0 RETURN - - 3- CK10=7 5E4-.E1=18760 0 CK20=3 St10 E2=277!!0 0 CK3OtZ 5 E 4 ___ E3t550C) 0 Xl=l,13~VM+U,O2S x2po.o RETURN ~--_____ _____ _ _ __ 3 C K l O = 1 lE5 E1=212&0 0 CK20=9 7 t 9 - __ - E2m29060 0 -___ __ _ _
~~
- .
-.
_ .
- -
- - --
---__-_--
__
__
END
L
r-
91
-.
rOO5
,004
GO TO 100
I__--
RETURN
0.01
OK
I
IF C X
--
ro21 I022
I023 IO26 IO27
L 1023 O 2
FACSE,
RETURN
,FAiSE.