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Formula For Calculate Heating Value of Coal PDF
Formula For Calculate Heating Value of Coal PDF
I n s t i t u t e of Gas Technology
3424 S . S t a t e S t .
Chicago, I l l i n o i s 60616
The h e a t i n g ( c a l o r i f i c ) v a l u e of c o a l and c h a r i s of g r e a t i m p o r t a n c e i n t h e
c o n v e r s i o n of c o a l t o o t h e r u s e f u l forms of f u e l , a s w e l l a s i n i t s d i r e c t u s e .
The s i g n i f i c a n c e of t h e c o r r e l a t i o n of h e a t i n g v a l u e w i t h composition i n o r d i n a r y
f u e l usage is shown by t h e development, a s e a r l y as 1940, of some 9 d i f f e r e n t f o r -
mulas f o r c a l c u l a t i n g h e a t i n g v a l u e from t h e u l t i m a t e a n a l y s i s and 11 f o r m u l a s f o r
c a l c u l a t i n g i t from t h e proximate a n a l y s i s (1). Three a d d i t i o n a l u l t i m a t e a n a l y s i s
formulas have been proposed w i t h i n t h e last t h r e e years ( 2 , 3 , 4 ) . The c o r r e l a t i o n
i s perhaps of even g r e a t e r importance f o r t h e r a t i o n a l i z a t i o n and modeling of con-
v e r s i o n p r o c e s s e s now b e i n g developed.
A d a t a b a s e ( i n c l u d i n g e x p e r i m e n t a l h e a t i n g v a l u e s , u l t i m a t e a n a l y s e s and some
o t h e r p a r a m e t e r s ) was e s t a b l i s h e d , c o n s i s t i n g of 1 2 1 samples from t h e Coal Research
S e c t i o n o f Pennsylvania S t a t e U n i v e r s i t y ( 5 ) , and 681 samples a n a l y z e d by t h e Bureau
of Mines and r e p o r t e d i n v a r i o u s s t a t e and F e d e r a l government p u b l i c a t i o n s ( 6 , 7 , 8 , 9 ) .
The Penn S t a t e samples, r e p r e s e n t i n g l a r g e d e p o s i t s of coal, had been s e l e c t e d f o r
t a b u l a t i o n i n t h e Data Book ( 1 0 ) . The d a t a b a s e c o v e r s a wide range o f c o a l f i e l d s
of t h e United S t a t e s .
Dulong (1)
Boie (11)
235
In t h e above, Q i s t h e g r o s s h e a t i n g v a l u e i n B t u / l b on t h e dry b a s i s and C , H ,
S , (O), N , and A a r e t h e r e s p e c t i v e c o n t e n t s o i c a r b o n , hydrogen, s u l f u r , oxygen,
n i t r o g e n , and a s h i n w e i g h t p e r c e n t , a l s o on t h e d r y b a s i s .
I n a d d i t i o n t o c a l c u l a t i o n w i t h t h e formulas p e r s e , we a l s o c a l c u l a t e d h e a t i n g
v a l u e s by u s e of Given and Y a r z a b ' s modified P a r r e q u a t i o n f o r m i n e r a l m a t t e r c o n t e n t ,
and t h e i r c o r r e c t i o n s t o o b t a i n carbon, hydrogen, s u l f u r and oxygen on a mineral-
matter-free b a s i s (14). This c a l c u l a t i o n requires values f o r p y r i t i c s u l f u r t h a t
were n o t a v a i l a b l e f o r some of t h e samples. K e s u l t s o b t a i n e d w i t h t h e modified Mott-
Spooner e q u a t i o n s on 646 s a r i p l e s having p y r i t i c s u l f u r c o n t e n t s a r e a l s o shown i n
Table 1; r e s u l t s from o t h e r formulas were improved, b u t t h e Mott-Spooner e q u a t i o n
gave t h e b e s t r e s u l t s . D e t a i l s of t h i s c a l c u l a t i o n and f u l l r e s u l t s a r e r e p o r t e d
elsewhere (15).
236
T a b l e 1. TEST OF FORMULAS FOR CALCULATION OF HEATING VALUE
Standard D e v i a t i o n
Average Before After A f t e r Over-
No. o f Absolute Bias Rank B i a s all Bias**
Samples Deviation Correction Correction Correction
Btu/lb
Dulong
Anthracite 40 137 -123 157 97 146
Bituminous 406 181 -138 221 173 212
Subbituminous 130 174 127 213 170 222
Lignite 1 49 218 174 255 185 266
A l l Ranks 775 184 -15 223 - 222
Boie
__
Anthracite 40 400 -400 417 100 17 7
Bituminous 406 253 -248 279 129 129
Subbituminous 180 217 -207 249 138 146
Lignite 149 301 -298 330 138 145
A l l Ranks 775 262 -256 291 - 1 39
Grummel and Davis
Anthracite 40 107 79 134 106 165
Bituminous 406 164 -128 208 164 184
Subbituminous 180 130 46 1 68 161 185
Lignite 1 49 127 39 171 1 67 187
A l l Ranks 775 146 -44 189 - 184
Mott and Spooner
Anthracite 40 84 -56 107 91 100
Bituminous 406 160 -134 197 144 149
Subbituminous 180 113 -31 152 1 49 162
Lignite 149 124 -85 170 147 147
A l l Ranks 775 138 -96 178 - 150
New Formula
Anthracite 40 73 -14 93 92 93
I t i s of i n t e r e s t t o d e t e r m i n e whether t h e r e m a i n i n g v a r i a n c e can a c t u a l l y be
a t t r i b u t e d to t h e laboratory determinations. The l a t t e r can be e s t i m a t e d a c c o r d i n g
to -
238
The v a r i a n c e c o n t r i b u t e d t o t h e d i f f e r e n c e between observed and c a l c u l a t e d
h e a t i n g v a l u e s by t h e v a r i a n c e of t h e e x p e r i m e n t a l d e t e r m i n a t i o n s c a n now be c a l c u -
l a t e d a c c o r d i n g t o Equation 6. The s t a n d a r d d e v i a t i o n s a f t e r b i a s c o r r e c t i o n s
(Table 3 ) y i e l d s t h e v a l u e 64 B t u / l b as t h e e x p e c t e d 0. T h i s r e p r e s e n t s 77% o f
t h e v a r i a n c e found f o r a l a r g e set of r o u t i n e HYGAS d a t a on r a w b i t u m i n o u s c o a l
d i s c u s s e d l a t e r i n t h i s p a p e r . The remainder of t h e v a r i a n c e can be a t t r i b u t e d
t o t h e e f f e c t of o u t l y i n g l a b o r a t o r y d e t e r m i n a t i o n s , and t h e e f f e c t of m i n e r a l
matter .
1 T a b l e 3. SUMMARY OF HYGAS REPEATMILITY DATA
S t a n d a r d Deviation**
No. of 'Average Before B i a s A f t e r Bias
Duplicates Value Bias* Correction Correction
Btullb
Heating Value 56 11680 13 29 27
W t %
Carbon 41 64.07 0.037 0.25 0.24
Hydrogen 41 4.52 0.028 0.051 0,051
Sultur 55 4.39 -0.011 0.084 0.086
Ash 40 16.77 0.037 0.14 0.14
* O r i g i n a l minus d u p l i c a t e
** Of r e p o r t e d v a l u e s , each t h e a v e r a g e of two d e t e r m i n a t i o n s run a t
t h e same t i m e , e x c e p t s i n g l e d e t e r m i n a t i o n s f o r s u l f u r .
239
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241
Another i m p o r t a n t u s e of a h e a t i n g v a l u e formula i s i n computer modeling of c o a l
conversion processes. Data on h e a t i n g v a l u e and composition of samples of c o a l and
c h a r o b t a i n e d a t IGT under t h e HYGAS p i l o t p l a n t program were a n a l y z e d f o r t h i s pur-
pose. I n t h e HYGAS p r o c e s s , non-agglomerating c o a l s a r e d r i e d b u t a r e n o t o t h e r w i s e
pretreated. Bituminous c o a l s a r e p r e t r e a t e d a t t e m p e r a t u r e s of 750°F t o 800'F t o
d e s t r o y t h e i r agglomerating p r o p e r t i e s . The r e s u l t i n g p r o d u c t i s r e f e r r e d t o h e r e a s
" p r e t r e a t e d c o a l " r a t h e r t h a n "char". Samples r e f e r r e d t o as " c h a r s " a r e from later
i n t e r m e d i a t e s t a g e s o r a r e s p e n t ( r e s i d u e ) c h a r . Ash i n t h e s p e n t c h a r from t h e r u n s
on bituminous c o a l a v e r a g e d 36X, b u t ranged up t o about 85%. To augment t h e d a t a from
r u n s on subbituminous a n d l i g n i t e c o a l s , w e have added some samples taken from streams
t h a t c o n t a i n f e e d c o a l i n a d d i t i o n t o c h a r , such as t h e d u s t c o l l e c t e d by a cyclone i n
t h e r e a c t o r p r o d u c t g a s stream. R e s u l t s a r e p r e s e n t e d i n Table 5 , t o g e t h e r w i t h those
o b t a i n e d on t h e o r i g i n a l d a t a bank.
CONCLUSIONS
A new f i v e - t e r m f o r m u l a f o r c a l c u l a t i n g t h e h e a t i n g v a l u e of c o a l from i t s c a r -
bon, hydrogen, s u l f u r a n d a s h c o n t e n t w a s o b t a i n e d by r e g r e s s i o n a n a l y s i s of d a t a on
775 s a m p l e s of U. S. c o a l s o f a l l ranks. The s t a n d a r d d e v i a t i o n of t h e c a l c u l a t e d
v a l u e from t h e o b s e r v e d v a l u e was 129 B t u / l b , compared t o a p p a r e n t s t a n d a r d d e v i a t i o n s
r a n g i n g from 1 7 8 t o 229 B t u / l b o b t a i n e d from t h e Dulong, Boie, Grummel and Davis,
and Matt and Spooner f o r m u l a s . An a n a l y s i s of t h e v a r i a n c e of t h e d i f f e r e n c e between
242
Table 5. TEST ON HYGAS ROUTINE SAMPLES OF THE DATA BOOK FOKMULA
FOR CALCULATION OF HEATING VALUE
Standard Deviation
No. of Before Bias A f t e r Bias
Samples Uiasd Correction Correction
\ HYGAS Data Bank Btuflb
Bituminous Coala
Subbituminous Coalb
Coal 49 -47 69 21
Chars 80 15 59 57
Mixtures of Coal and Char 66 15 55 53
Lignite'
Chars 80 34 78 77
Mixtures o f Coal and Char 44 12 88 71
O r i g i n a l Data Bank
243
observed a n d c a l c u l a t e d v a l u e s o b t a i n e d w i t h t h e new formula on IGT c o a l d a t a
i n d i c a t e d t h a t a t l e a s t 77% i s c o n t r i b u t e d by t h e v a r i a n c e o f t h e e x p e r i m e n t a l d e t e r -
m i n a t i o n s ; t h e remainder c a n be a t t r i b u t e d t o t h e e f f e c t of m i n e r a l m a t t e r and out-
l y i n g experimental determinations.
A p p l i c a t i o n of t h e f o r m u l a t o c o a l o x i d a t i v e l y p r e t r e a t e d a t 750°F t o 800°F t o
d e s t r o y a g g l o m e r a t i n g p r o p e r t i e s y i e l d s a b i a s i n d i c a t i n g t h a t i t s h e a t of formation
is h i g h e r t h a n e x p e c t e d f r o m e l e m e n t a l and a s h c o m p o s i t i o n by a b o u t 140 B t u / l b ; t h i s
i s a t t r i b u t e d t o d i f f e r e n c e s i n s t r u c t u r e (bonding) of t h e p r e t r e a t e d c o a l i n comparison
to u n p r e t r e a t e d c o a l . The formula g i v e s s a t i s f a c t o r y r e s u l t s on h i g h e r temperature
HYGAS c h a r s , and, w i t h a p p l i c a t i o n of a b i a s c o r r e c t i o n , on p r e t r e a t e d c o a l
Acknowledgement
LITERATURE CITED
244
13. Mott, R . A . , and Spooner, C. E . , "The C a l o r i f i c Value of Carbon i n C o a l , "
-
1 9 , 226-31, 242-51 ( 1 9 4 0 ) .
14. Given, P. and Yarzab, R. F., "Problems and S o l u t i o n s i n the Use o f Coal Analyses.
! T e c h n i c a l Report 1." ERDA N o . FE-0390-1. NTIS, S p r i n g f i e l d , V a . 1975.
245