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x
j;00
P
0
P
0
T
0
T
0
T
0
ln
T
0
T
0
j;00
= H
f;j
T
0
s
j
+ C
p;j
+RT
0
ln
(D.15)
Where x
j;00
is a vector, including the molar concentration of the gases in the
reference environment, H
f;j
, s
j
and C
p;j
are enthalpy, entropy of formation
and the specific heat change of the given species in the reference environment re-
quired to form the element in equations D.16 and D.17. Subscript 0 denotes the
environment, while superscript 0, the standard reference environment.
Lozano (1989) proposed the three R.E. (I, II and III) shown in Table D.5.
Table D.5 Composition of the three R.E. proposed by Lozano
(1989)
I
II
III
(j=1) C $(jj=1)
CO
2
(g) CO
2
(g) CO
2
(g)
(j=2) H $(jj=2)
H
2
O (g) H
2
O (l) H
2
O (l)
(j=3) O $(jj=3)
O
2
(g)
O
2
(g)
O
2
(g)
(j=4) N $(jj=4)
N
2
(g)
N
2
(g)
N
2
(g)
(j=5) S $(jj=5)
SO
2
(g)
SO
2
(g) CaSO
4
2H
2
O (s)
(j=6) Ca $(jj=6)
CaCO
3
(s)
For R.E. I and II, H
f;j
is calculated as in Eqs. D.16. The expression for the
calculation of s
j
and C
p;j
is analogous to that of H
f;j
. Note that for element
H, the enthalpy and specific heat taken for H
2
O must be in the gaseous and liquid
state for R.E. I and II, respectively.
(j = 1) C : H
f;C
= H
f;CO
2
H
f;O
2
H
f;H
2
O
2
H
f;O
2
4
(j = 2) H : H
f;H
=
H
f;O
2
2
(j = 3) O : H
f;O
=
(D.16)
(j = 4) N : H
f;N
=
H
f;N
2
2
(j = 5) S : H
f;S
= H
f;O
2
+ H
f;SO
2
For R.E. III, the following expressions are valid:
(j = 1) C : H
f;C
= H
f;CO
2
H
f;O
2
H
f;H
2
O
2
H
f;O
2
4
(j = 2) H : H
f;H
=
H
f;O
2
2
(j = 3) O : H
f;O
=
(D.17)
(j = 4) N : H
f;N
=
H
f;N
2
2
(j = 5) S : H
f;S
= H
f;CO
2
2H
f;H
2
O
3H
f;O
2
2
+H
f;CaSO42H
2
O
H
f;CaCO
3
(j = 6) Ca : H
f;Ca
= H
f;CO
2
H
f;O
2
+ H
f;CaCO
3
2
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