Download - 5. Chemical Equilibria
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TKM 406 Termodinamika TeknikKimia 2
Chemical Equilibria
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Reaction Coordinate
......AA......AA 33332211 ++++
3111
H3COOHCH
224 HCOOHCH
224
+=+===
++
=
==
=
=
=
ddn
.....dndndndn
i
i
4
4
3
3
2
2
1
1
=
====
=
ddn
.....3
dn
1
dn
1
dn
1
dn
i
iHCOOHCH 224
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Reaction Coordinate
===+=
++==
+=
i0i0i
0
0
i0iii
i0ii
nnnn
nn
nn
nny
nn
If, initially there are 2 mol CH4, 1 mol H2O, 1 mol CO, and 4 mol H2:
++=
++=
+=
+=
+=+++=
=+++=+++=
+=+===
=+++=+++=
====
2834y
281y
281y
282y
28nnnnn
23111
34n1n1n2n
84112nnnnn
4n1n1n2n
224
224
224
224
224
224
HCOOHCH
HCOOHCH
HCOOHCH
HCOOHCH
0,H0,CO0,OH0,CH0
0,H0,CO0,OH0,CH
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Reaction Coordinate
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Reaction Coordinate: Mlti!leReaction"
.......................................................................
......AA......AA 2,3232,3232,2222,121 ++++
......AA......AA j,3j3j,3j3j,2j2j,1j1 ++++
......AA......AA 1,3131,3131,2121,111 ++++
2224
224
H4COOH2CH
H3COOHCH
++++
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Reaction Coordinate: Mlti!leReaction"
22,i
2,i
2,4
2,4
2,3
2,3
2,2
2,2
2,1
2,1d
dn.....
dndndndn=
==
=
=
=
11,i
1,i
1,4
1,4
1,3
1,3
1,2
1,2
1,1
1,1
d
dn
.....
dndndndn
======
2
2,i
2,i2,H2,CO2,OH2,CH
11,i
1,i1,H1,CO1,OH1,CH
ddn
.....4
dn
1
dn
2
dn
1
dn
ddn.....3
dn1
dn1
dn1
dn
2224
224
=
====
=
=
====
=
jj,i
j,i
j,4
j,4
j,3
j,3
j,2
j,2
j,1
j,1d
dn.....
dndndndn=
==
=
=
=
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Reaction Coordinate
===
+=
+
+
==
+=
i
j,ij0i0i
j
jj,10
j
jj,10
j
jj,i0i
ii
j
jj,i0ii
nnnn
nn
n
n
n
ny
nn
If, initially there are 2 mol CH4, 1 mol H2O, 1 mol CO, and 4 mol H2:
21
21H
21
2CO
21
1CO
21
21OH
21
21CH
228
434y
228
y
228
1y
228
21y
228
2y
22
24
++
++=
++
=
++
+=
++
=
++
=
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Reaction Coordinate
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Reaction Coordinate #$%ili&rim Condition
( ) 0dG P,Tt =
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Reaction Coordinate #$%ili&rim Condition 'Cont()
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Method of $%ili&rim Con"tant
( ) ( ) ( ) ( ) ffffK 3H1
CO
1
OH
1
CH 224=
= TR
Gexp)aK
0ii
ii
i)fK i*or +a"e":
224 H3COOHCH ++
*or ideal +a"e":
PKKK y
=
PKKy
=
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Method of$%ili&ri
mCon"tant
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ro&lem"
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ro&lem Hint: -i.erent /ayead" to The ame Re"lt"
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ro&lem"
C l l ti f $ ili& i
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Calclation of $%ili&rimCon"tant
( )
=!
K2"8,fi!
K2"8 GG
( ) = ! K2"8,fi! K2"8 HH
2T
TR
H
dT
K#nd
=
2"8!
K2"8 K#n2"8RG =
dTCHH
T
2"8
!p
!2"8
T
+=
( ) = !pi!p CC
dT
TR
HK#nd
2
T
K#n
K#n
T
K2"8
=
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)K2"8!
fG
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)K2"8!
fG
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)K2"8!
fG
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)K2"8!
fG
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)K2"8!
fH
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)K2"8!
fH
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)K2"8!
fH
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)K2"8!
fH
ea a!ac y a a
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ea a!ac y a a 3a"e"
ea a!ac y a a
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ea a!ac y a a 3a"e"
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HeatCa!acity
-ata olid
H t C it D t Li id
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Heat Capacity Data - Liquid
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ro&lem"
ro&lem"
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ro&lem"
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ro&lem"
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ro&lem"
ro&lem"
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ro&lem"
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ro&lem"
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ro&lem"
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ro&lem"
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ro&lem"
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Mlti!le Reaction"
&ed of coal 'a""me !re car&on) in a coal+a"i5er i" fed ith "team and air and !rodce a+a" "tream containin+ H2, CO, O2, H2O, CO2, and
728 If the feed to the +a"i5er con"i"t" of 1 mol of
"team and 289 mol of air, calclate thee%ili&rim com!o"ition of the +a" "tream at ; 20 &ar and T ; 1
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Mlti!le Reaction"
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ro&lem"
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ro&lem"
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ro&lem"
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a+ran+e Mlti!lier forCom!le= Reaction
0aPnn#nTRG
$
i$$ii!
fi =+ +
=i
$i$i Aan*ir"t te!: tomic >alance"
?2 te!:
7o8 of e%n ; no8 ofin@ol@ed atom
7o8 of e%n ; no8 of
"!ecie" in@ol@ed
A"e Com!ter to ol@e ll The $%ation imltaneo"ly8
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ro&lem
Calclate the e%ili&rim com!o"ition at 1000 Kand 1 &ar of a +a"!ha"e "y"tem containin+ the"!ecie" CH4, H2O, CO, CO2, and H28 In the initial
nreacted "tate ther are !re"ent 2 mol of CH4
and 9 mol of H2O8 ""me ideal +a"e"8
t 1000 K:
1%!COf
1%!COf
1%! OHf
%1!CHf
&!#'3"("0G
&!#'200240G
&!#'1"2420G
&!#'1"20G
2
4
=
=
=
=