Ihsan Barin
Thermochemical Data
of Pure Substances
Third Edition
in collaboration with
Gregor Platzki
Volume I Ag - Kr
VCH
Weinheim
New York
Basel
Cambridge
Tokyo
Contents
Volume 1
List of chemical Symbols and names
of substances in the order
of tabulation (Formulae index)
List of chemical Symbols for substances
according to the alphabetical order
of elements (modified Hill indexing
System)
Parti
1
XIII
1.8.3
XXXVII
Basic Principles
1-1
1
1.1
1.2
1.3
1.4
1.5
The basic concepts
Thermodynamic System
State functions
Changes in State
The Zeroth Law of thermodynamics
Equations of State
1-1
1-1
1-1
1-1
1-2
1-2
2
2.1
2.2
2.3
2.4
2.5
2.6
The First Law of thermodynamics
Work
Energy and heat
Internal energy
Enthalpy
Heat capacities
Changes in U and H of closed
Systems
1-3
1-3
1-4
1-4
1-5
1-5
1.3
Joule-Thomson effect
1-7
1.4
1.4.1
1.4.2
The Second Law of thermodynamics
Entropy
Entropy changes, thermodynamic
temperature
Temperature dependence of entropy .
1-7
1-7
1.5
1.6
1.6.1
1.6.2
1.6.3
1.6.4
1.7
1.7.1
1.7.2
1.7.3
The Third Law of thermodynamics
(Nernst Heat Theorem)
Fundamental relations of
thermodynamics
Helmholtz energy, Gibbs energy
• Temperature and pressure dependence
of Gibbs energy
Natural changes and equilibrium State
in a closed System
Characteristic functions
Closed System with reactions
Reaction equation and Conventions
Reaction quantities
Enthalpy and entropy of transition,
Clausius-Clapeyron equation
1.9
1.9.1
1.9.2
1.9.3
Thermodynamic functions and
relations
1.4.3
1.8
1.8.1
1.8.2
1-6
1-9
1-9
1-10
1-11
1-11
1-12
1-12
1-13
1-13
1-13
1-14
1-14
Chemical potential
Open Systems
Definition of the chemical potential,
Gibbs fundamental equation
Standard State for chemical potential,
definition of activity
1-15
1-15
Chemical equilibrium
Gibbs fundamental equation
for closed Systems
Conditions for chemical equilibrium
Equilibrium constant
1-16
1-15
1-15
.
1-16
1-16
1-16
1.10 Mixtures
1.10.1 Gibbs-Duhem equation
1.10.2 Standard states for activities
and activity coefficients
1-17
1.11
Gibbs phase rule
1-18
1.12
1.12.1
1.12.2
1.12.3
Electrochemical
Electrochemical
Electrochemical
Electrochemical
1-18
1-18
1-19
1-19
1.13
References for chapter 1
1-20
2
Calculation of thermochemical
functions
1-21
Units and Conventions
(see Sections 10.1 - 10.3)
1-21
2.1
2.2
2.2.1
2.2.2
2.2.3
2.2.4
2.2.5
2.2.6
reactions
work
potential
equilibrium
Calculation of the thermochemical
functions of pure substances
Cp(T), heat capacity
H(T), enthalpy
S(T), entropy
G(T), Gibbs energy
Gef(7"), Gibbs energy function
(free enthalpy function)
AHf(T), AGf(T), log ^ ( 7 ) Molar
quantities of formation reaction
1-17
1-17
1-21
1-21
1-22
1-24
1-24
1-25
1-25
2.3
2.3.1
2.3.2
2.3.3
Equilibrium calculations
K(T), equilibrium constant
p°(T), vapor pressure
E°(T), Standard emf
1-27
1-27
1-27
1-27
2.4
2.4.1
2.4.2
2.4.3
2.4.4
Entropy production and "exergy" . . . .
Entropy production
Exergy
Exergy losses by irreversibilities
References for exergy relations
1-28
1-28
1-29
1-29
1-30
2.5
Enthalpy and entropy of natural
materials
1-30
X
Contents
Part II
7.2
Compilation and Presentation
of Thermochemical Data
3
Compilation of thermochemical data
1-33
3.1
Basic thermochemical data
1-33
3.2
Existing compilations
1-33
3.3
Thermochemical tables
1-33
3.4
References for Section 3.2 and 3.3
..
1-34
Exergy and entropy balance
calculations
7.3
7.3.1
Equilibrium calculations
Calculation of equilibrium constants
of chemical reactions
Vapor pressure calculations
Equilibrium concentration of NO
in hot air
Equilibrium concentration of NO
in exhaust gases
7.3.2
7.3.3
7.3.4
Tables in the Present Work
4
Preparation of the tables
1-35
4.1
General remarks
1-35
4.2
Data sources, accuracy .
1-35
4.3
Units
1-35
4.4
Standard states
1-36
4.5
Reference phases for the elements
at 298.15 K and 1 bar
1-36
5
Construction of the tables
1-37
5.1
Arrangement of substances
in the tables
..
1-37
6
Contents and structure of the tables
1-38
6.1
Formula, name and relative molar
mass
1-38
6.2
Tabulated functions
1-38
6.3
Sequence of temperatures
1-38
6.4
Phase transitions
1-38
6.5
The final temperature in the tables .
1-38
6.6
Additional information, remarks
..
1-39
6.7
References for the sources of data .
1-39
6.8
Abbreviations and Symbols
1-39
7.1
7.1.1
7.1.2
7.1.3
7.1.4
7.1.5
7.5
7.6
1-37
Order of the phases in the tables
7
7.4.3
7.7.1
5.2
Part IV
7.4.1
7.4.2
7.7
Examples of the Use of the Tables
Examples of thermodynamic
calculations
Enthalpy changes
Enthalpy of air
Heating and melting a metal
Final temperature in an adiabatic
process
Enthalpy balance for heat exchange
Enthalpy change in a System
with reactions
7.7.2
7.7.3
1-41
1-41
1-41
1-42
1-43
1-43
1-45
1-46
1-46
1-47
1-47
1-47
1-48
1-49
Electrochemical energy conversion,
high temperature fuel cell
1-51
The calculation of equilibria in multiphases, multicomponent Systems . . . .
1-52
Thermodynamic calculation
of technical processes with reactions
of natural materials
Incineration of waste materials in a
fluidized bed furnace
Sewage Sludge incineration at 1600°C
Combustion of coal in the slag tap
boiler
Part V
1-53
1-53
1-54
1-56
Information on the Tables
8
Fundamental constants and conversion
factors
1-59
8.1
Fundamental constants
1-59
8.2
Conversion factors for energy units . .
1-60
8.3
8.4
Conversions for entropies of gases . . .
Relative atomic masses of the elements
based on A r = 12 for 12 C
1-61
Part VI
1-41
1-45
Equilibrium in simplified Systems
with several phases and components
Equilibrium in the C-CO-C0 2 System
Predominance area diagram
for the System Zn-O-C
Predominance area diagram
for the System Zn-O-S
7.4
Part III
1-44
9
1-62
Symbols, Abbreviations and References
Symbols and abbreviations
used in the tables
1-63
10
Reference phases of elements at 1 bar
1-64
11
References for the data in the tables
.
1-68
Contents
Part VII The Tables
12
Tables of thermochemical data
of pure substances
Ag —Kr
XI
Volume 2
1-71
1
List of chemical Symbols and names
of substances in the order
of tabulation (Formulae index)
List of chemical Symbols for substances
according to the alphabetical order
of elements (modified Hill indexing
System)
Part VII The Tables (Continued)
La-Zr
VII
XXXI
925