Additional Data and Calculation Procedures - Thanatia: The Destiny of the Earth's Mineral Resources - page 564

The formation enthalpy can be calculated with high or low heating values (HHV,
LHV), using the following expressions:

H f;fuel = HHV + H f;CO 2 + h

2 H f;(H 2 O) l + sH f;SO 2

(D.6)

h
2

h

i

H f;(H 2 O) g H f;(H 2 O) l

HHV = LHV +

+ w (D.7)

In the case that the experimental heating values are not available, they can be
approximated through the following:
Liquid fossil fuels. Lloyd's correlation (Lloyd and Davenport, 1980) in cal/mol C:

HHV = 102; 720 + 27; 360 h 32; 320 o + 19; 890 n + 85; 740 s (D.8)

Solid fossil fuels. Boie's correlation (Ringen et al., 1979) in cal/mol C:

HHV = 100; 890 + 27; 990 h 42; 400 o + 21; 010 n + 80; 160 s (D.9)

For gaseous fuels, H f can be calculated with the following equation:

P i H f;i
d 1

H f;fuel =

(D.10)

The standard entropy is calculated with the correlations proposed by Ikumi et al.
(1982) for liquid fossil fuels and those of Eisermann et al. (1980) for solid fuels.
Liquid fossil fuels, in cal/(mol C K):

s fuel = 1:12 + 4:40 h + 10:66 o + 20:56 n + 20:70 s (D.11)

Solid fossil fuels, in cal/(mol C K):

o
1 + n

s fuel = 8:88272 7:5231e 0:56482 (

1+n ) + 4:80748

h

n
1 + n

s
1 + n

+12:9807 + 10:6767 (D.12)

Gaseous fossil fuels:

P i s i Rln( P i

P 0 )

s fuel =

(D.13)

d 1

The calculation of enthalpy and chemical potential for each element (H j;00 and
j;00 ) is done using Eqs. D.14 and D.15 and depends on the species composing the
reference environment.

H j;00 = H f;j + C p;j T 0 T 0 (D.14)