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Modeling of Fossil Fuel Formation
P M V Subbarao
Professor
Mechanical Engineering Department
Study of Natural Resources for Better
Design….
Plant Debris Peat Lignite Brown Coal
Diamond
Semi Anthracite
Anthracite Bituminous
Sub-Bituminous
Formation of Coal
Lignin Structure of Peat
O
nH
zCO
yCH
O
H
C
O
H
xC 2
2
4
5
10
8
5
10
6 



Structure of smallest molecule: 5
10
8 O
H
C
Bio-chemical Reaction:
Atmospheric CO2 Concentration at Peat Bogs
First Law Analysis of Formation of Peat :SSSF
Species Conservation Equation:
First Laws for furnace in SSSF Mode:
CV
CO
CH
peat
veg
CV
W
gz
V
h
m
gz
V
h
m
gz
V
h
m
gz
V
h
m
Q































































































2
2
4
2
2
2
2
2
2
2
Conservation of Mass:
W
m CO2
m vegetation
Q
Q
m Peat
m CH4
0
2
4 







CO
CH
peat m
m
m
mvegetation
O
H
CO
CH
O
H
C
O
H
C 2
2
4
5
10
8
5
10
6 2
2
2 



Secondary Transformation : Geo-Chemical Stage
• The decayed vegetation was subjected to extreme
temperature and crushing pressures.
• It took several hundred million years to transform the
soggy Peat into the solid mineral.
• 20 m of compacted vegetation was required to produce 1 m
seam of coal.
• This is called as coalification or coal forming.
• The extent to which coalification has progressed
determines the rank of coal.
Secondary Transformation : Geo-Chemical Stage
Chemical Structure of Coal
Coal Ranking
Modeling of Coalification
Peat to Enriched peat: (mostly due to heating)
O
H
O
O
H
C
O
H
C 2
2
3
18
19
5
10
8 23
24
8
19 


O
pH
zO
O
H
yC
O
H
xC 2
2
4
16
35
3
18
19 


Enriched peat to lignite: (mostly due to pressure &heating)
lignite to Sub-bituminous: (mostly due to pressure &heating)
O
pH
zO
O
H
yC
O
H
xC 2
2
4
19
49
4
16
35 


Sub-bituminous to High volatile Bituminous:
O
pH
zO
O
H
yC
O
H
xC 2
2
3
23
57
4
19
49 


High Volatile Bituminous to Medium volatile Bituminous:
4
2
2
1
23
64
3
23
57 qCH
O
pH
zO
O
H
yC
O
H
xC 



Medium Volatile Bituminous to Low volatile Bituminous:
4
2
2
5
.
0
21
66
1
23
64 qCH
O
pH
zO
O
H
yC
O
H
xC 



Low Volatile Bituminous to semi Anthracite:
4
2
2
5
.
0
16
67
5
.
0
21
66 qCH
O
pH
zO
O
H
yC
O
H
xC 



Semi Anthracite to Anthracite:
4
2
2
25
.
0
11
72
5
.
0
16
67 qCH
O
pH
zO
O
H
yC
O
H
xC 



Coal Classification
• There are two main ways for classifying coal
- by rank and by type.
• Coal Rank
• Coal Types
• Coal Rank : The degree of 'metamorphisrn'
or coalification undergone by a coal, as it
matures from peat to anthracite, has an
important bearing on its physical and
chemical properties, and is referred to as the
'rank' of the coal.
• Low rank coals, such as lignite and sub-bituminous coals, are typically softer,
friable materials with a dull, earthy appearance; they are characterised by
high moisture levels and a low carbon content, and hence a low energy
content.
• Higher rank coals are typically harder and stronger and often have a black
vitreous lustre.
Composition of Coals
• The natural constituents of coal can be divided into two
groups:
• (i) the organic fraction, which can be further subdivided
into microscopically identifiable macerals; and
• (ii) the inorganic fraction, which is commonly identified as
ash subsequent to combustion, but which may be isolated
in the form of mineral matter by low-temperature ashing
(LTA).
• The organic fraction can be further subdivided on the basis
of its rank or maturity.

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mel725-13.ppt

  • 1. Modeling of Fossil Fuel Formation P M V Subbarao Professor Mechanical Engineering Department Study of Natural Resources for Better Design….
  • 2. Plant Debris Peat Lignite Brown Coal Diamond Semi Anthracite Anthracite Bituminous Sub-Bituminous Formation of Coal
  • 3.
  • 4. Lignin Structure of Peat O nH zCO yCH O H C O H xC 2 2 4 5 10 8 5 10 6     Structure of smallest molecule: 5 10 8 O H C Bio-chemical Reaction:
  • 6. First Law Analysis of Formation of Peat :SSSF Species Conservation Equation: First Laws for furnace in SSSF Mode: CV CO CH peat veg CV W gz V h m gz V h m gz V h m gz V h m Q                                                                                                2 2 4 2 2 2 2 2 2 2 Conservation of Mass: W m CO2 m vegetation Q Q m Peat m CH4 0 2 4         CO CH peat m m m mvegetation O H CO CH O H C O H C 2 2 4 5 10 8 5 10 6 2 2 2    
  • 7. Secondary Transformation : Geo-Chemical Stage • The decayed vegetation was subjected to extreme temperature and crushing pressures. • It took several hundred million years to transform the soggy Peat into the solid mineral. • 20 m of compacted vegetation was required to produce 1 m seam of coal. • This is called as coalification or coal forming. • The extent to which coalification has progressed determines the rank of coal.
  • 8. Secondary Transformation : Geo-Chemical Stage
  • 10.
  • 11.
  • 13. Modeling of Coalification Peat to Enriched peat: (mostly due to heating) O H O O H C O H C 2 2 3 18 19 5 10 8 23 24 8 19   
  • 14. O pH zO O H yC O H xC 2 2 4 16 35 3 18 19    Enriched peat to lignite: (mostly due to pressure &heating)
  • 15. lignite to Sub-bituminous: (mostly due to pressure &heating) O pH zO O H yC O H xC 2 2 4 19 49 4 16 35   
  • 16. Sub-bituminous to High volatile Bituminous: O pH zO O H yC O H xC 2 2 3 23 57 4 19 49   
  • 17. High Volatile Bituminous to Medium volatile Bituminous: 4 2 2 1 23 64 3 23 57 qCH O pH zO O H yC O H xC     Medium Volatile Bituminous to Low volatile Bituminous: 4 2 2 5 . 0 21 66 1 23 64 qCH O pH zO O H yC O H xC     Low Volatile Bituminous to semi Anthracite: 4 2 2 5 . 0 16 67 5 . 0 21 66 qCH O pH zO O H yC O H xC     Semi Anthracite to Anthracite: 4 2 2 25 . 0 11 72 5 . 0 16 67 qCH O pH zO O H yC O H xC    
  • 18. Coal Classification • There are two main ways for classifying coal - by rank and by type. • Coal Rank • Coal Types • Coal Rank : The degree of 'metamorphisrn' or coalification undergone by a coal, as it matures from peat to anthracite, has an important bearing on its physical and chemical properties, and is referred to as the 'rank' of the coal. • Low rank coals, such as lignite and sub-bituminous coals, are typically softer, friable materials with a dull, earthy appearance; they are characterised by high moisture levels and a low carbon content, and hence a low energy content. • Higher rank coals are typically harder and stronger and often have a black vitreous lustre.
  • 19. Composition of Coals • The natural constituents of coal can be divided into two groups: • (i) the organic fraction, which can be further subdivided into microscopically identifiable macerals; and • (ii) the inorganic fraction, which is commonly identified as ash subsequent to combustion, but which may be isolated in the form of mineral matter by low-temperature ashing (LTA). • The organic fraction can be further subdivided on the basis of its rank or maturity.