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USE OF TABULATED

THERMOCHEMICAL

DATA

FOR PURE COMPOUNDS

Nathan

S. Jacobson

NASA John H. Glenn Research


Cleveland,

Center

OH 44135

Abstract

Thermodynamic

data for inorganic

databases.

An extensive

three

tabulations

major

Substances
different

are

the

of sources
JANAF

(2), and the tabulation

in each

problem.
equations

listing

compounds

of these

Key Words:

Computational

the

tables

by Barin

choice

of tabulations

of inorganic thermodynamic

(3).

(1),

Thermodynamic

The

notation

tabulat ons, so combining

By understanding
for conversion

is found in a variety

of standard

data

is provided.

Properties

and choice

data from the different


states,

and computer

it is possible

of

of standard
tabulations
to develop

of the data from one form to another.

Chemistry,

Physical

Chemistry,

Tabulations,

Thermodynamics,

The

Individual
states

is

is often

simple

I. Introduction

Thermodynamic

data for the elements

and electronic
with

the

databases.

format

tabulations

(tabular,

represent

and assessment

analytic

many years

of the data

data

have

been

(2) compendia

in a reacting

system

determining

the free

explicitly
reactants

specified

this end, each

to table.
JANAF

database

of reference

Appendix
tables

information

on

and

computer

into these.

data have not.

of a single
energy

and accurately
product
balanced

minimization

assemblage.

for each database.


used

recommended

databases

tabulations.
report

thermochemica[

of the accompanying
codes

is available

only

the

by the code.

To

However

on the

the form

may differ from table


This report

databases

(ITDs).

the

These

They discuss

In addition
directory

follows

as possible.

thermochemistry.
codes.

by (i)

and products

(21) as closely

thermodynamic

(1)

changes

(20) where

information.

and codes for metallurgical

the features

code

are determined

in an IUPAC

eight integrated

free energy

Even the notation

in the first three

the JANAF

with reactants

computer

the same basic thermodynamic

of the

This is done either

reaction

and product amounts

Some

Generally

calculate

(22) have reviewed

databases

incorporated

is to reliably

differs

These

and the gathering

of reliability.

II lists the notation

available

tabulated.

to have the highest degree

and the products


presents

other

the resultant

a free

states

have been

for reliability,

change

quantities

use, along

The focus here will be on the first three tabulations.

tabulations

(1) and the notation

are commercially
the

in the measurements

databases

or (ii) with

Bale and Eriksson

both

work--both

and determine

are specified

and choice

of intensive
tables.

of handbooks

in common

and the

are considered

energy

currently

electronic),

assessed

The goal with each of these

(1-19)

in a variety

functions,

in the remaining
critically

are tabulated

t lists the tabulations

of the data in these

Most

and TPIS

Appendix

and compounds

a wealth

of web

sites

of
in

IIi

maintained

Inorganic Chemical Thermodynamics--http:llwww.crct.polymtl.calFACTIwebsites.htm,


by Ecole Polytechnique of Montreal, Canada.

The emphasis here is on stand-alone databases for pure substances and their enthalpy, entropy,
and Gibbs free energy at constant pressure---the
inorganic thermochemistry.

quantities most often used in high temperature

The goal of this report is to describe the form of the data in each

database and show how to easily convert the data from one form to another. The current trend in
electronic

databases

is to store thermodynamic

referenced to the standard state at 298.15 K


treated in thermodynamics

II. Tabulated

as the Gibbs

Energy

Function,

This function and standard state are not generally

textbooks and therefore will be discussed in detail here.

Enthalpies

,o

Heat capacity, C _,(T),

C"(T)

information

is often expressed as the following polynomial function.

(1)

= a +b T + cT -2

Here T is the temperature


Enthalpy, H" (T),

in degrees Kelvin.

A fourth term dT 2 is sometimes included (23).

is defined as:

_t'

H" (T) - H" (298)

"" TdT
fC,,(
)

=
298

Integrating equation (1), we obtain:

(2)

H"(T)-

I1"(298)

= aT + 2_T:

- Tc - a('_98)-b(298)2
-

The enthalpy is only meaningful as a difference.


H" (298)is

specified.

in equation

(2).

compound,

c
298

(:3)

H" (T) alone is only meaningful if a value for

In the JANAF tables (1) enthalpies are always expressed as the difference

Thus the JANAF

tables (1) list

H" (T)-

H" (T,. ) for every element

with T,.equal to 298.15 K This means that H'(T)-H"(Tr)

negative when Tr < 298.15 K, and positive when T,. > 298.15 K.
the JANAF (1) listing of H" (T) - H" (T_) for Al(cr):

and

is zero at 298.15 K,
Table I gives an example of

T(K)

H"(T)-H'(T,.)
-4.539

100

-4.056

200

-2.254

250

-1.140

298.15

0.

300

0.045

350

1.280

4O0

2.553

450

3.856

500

5.186

900

7.921

Table I. Selected

data for H" (T) - H" (T,.) for Al(cr) from the JANAF

(1) tables.

dl

The JANAF tables (1) also list the heat of formation


elements

in their conventional

defined as follows.

AtH'(T

standard states, this is zero.

) for each substance.

For the

However for the compounds,

it is

Following the notation of Barin (2), consider the formation of a compound B

from the elements E,:

viE1

(4)

v2E_+ ,..= B

First consider the determination of At H" (298)

A, H" (298, B) = H" (298, B) - _

v,H"

(5)

(298, E, )

Next consider the determination of A f H" (T)

AIH"(T,B)=

(6)

H"(T,B)-_"v,H"(T,E_)
i

Since

the JANAF

tables only present

enthalpy

data as the difference

H" (T) - H" (298),

equation (5) can be subtracted from equation (6) to give:

A ,H" (T,B)=

A,H"

(298, B)+ [H" (T,B)-

H" (298, B)]- Z v,[H" (T,E,)-

H (298, E,)]

(7)
Equation (7) is thus used to determine the enthalpy of formation of B at a temperature T. The
TPIS compendium lists ArH"(0)

and AIH"(298)

as well as H" (T)-

H" (O).

The enthalpy

of formation

at any temperature

A/H"(T)

can be calculated

in manner analogous

to that

described above.

(8)

Barin (3) also lists H'(T)-

H"(298),

which is the same as the JANAF (1) H"(T)-

In addition, Barin (3) lists the quantity H" (T).


reference state (SER), taking H" (298)

H"(Tr).

In order to do this he uses the standard element

as zero for the elements in their most stable aggregation

state at 298.15 K The use of the standard element reference state avoid anomalies encountered
when the reference state is taken at the temperature

of interest (5).

As will be discussed,

the

major computerized databases use data with this reference state. First consider equation (5). The
summation term is zero for the elements at 298.15 K, so:

A //t"

(8)

(298, B) = H" (298, B)

Adding tt" (T, B) - H" (298, B) to both sides leads to (24):

H" (T,B)

= A I H" (298,B)

+ ( H" (T,B)-

H"(298,B))

Equation (9) thus indicates how to convert from the JANAF data to the Barin H" (T).

(9)

III. Tabulated Entropies

Tabulations of entropies are more clear than those for enthalpies since there is an absolute value
for entropy.

At zero degrees Kelvin, the entropy equals to zero.

Entropy can be determined

from:

dS -

C;;dT

(10)

Now this can be integrated to:

S"(T)

S"(298)

= S"(298)

can be determined from low temperature measurements:

298 (_o

S"(298)

(11)

+ a In T + bT - CT-3
3

- S"(O)

= S"(298)

(T _

f,..,,_
)dT
= a
7

(12)

The major compendia--JANAF,

TPIS, and Barin--list

entropy exactly the same way.

10
III. Tabulated Free Energies

III.A. JANAF A / G" (T), FEF(298)

The JANAF tables (1) present free energy functions referenced to 298.15 K and the Gibbs free
energy of formation

A/G"(T).

According to convention,

the free energy of formation of the

elements in their pure form, at the temperature of interest, is taken as zero.


zero for all pure elements.

However it is not zero for compounds.

Thus At.G(T)is

The free energy function

referenced to 298.15 K is extremely useful. It is defined as:

FEF(298)

[G"

(T) -

H"(298)]

(13)

T
Consider reaction (4). The Gibbs free energy of formation for compound B can be calculated from
the free energy function as follows:

A H"(298,B)

G(T, B)
T

The

ease

- FEF(298,

of interpolation

thermodynamic

B)-_.v,[FEF(298,
i

E,)]+

with the free energy

calculations until recently.

function

(14)

made

it the favored

choice

for

However today, with near universal use of computers,

polynomial expressions for free energies of formation are more widely used.

Table Ilia and IIIb illustrates the entries for these quantities from the JANAF tables (1).

I1

T/K

s" (T)

100

3.833

298.15

H" (T) - H" (298)

A f H" (T)

AIG" (T)

-3.218

33.351

-2.952

18.820

18.820

500

30.110

21.237

4.436

1000

47.329

30.387

16.942

1500

58.411

37982

30.644

Table

Ilia.

Selected

T/K

S"(T)

100

140,886

298.15

- FEF(298)

JANAF

table

(1) entries

for Si(s)

H (T) - H (298)

AfH"(T)

AIG(T)

-7.550

445.668

445.668

188.980

-4.809

448.142

434.437

167.980

167.980

450.000

405.528

500

179.204

170,456

4.374

449.938

375.391

1000

193.816

178.911

14.905

447.962

301.476

1500

202.360

185.396

25.447

444.803

228.879

Table

IIIb.

Selected

- [G" (T) - H" (298)]


T

JANAF

table

(1) entries

for Si(g)

12

III.B. TPIS FEF(O)

The TPIS compendium

(2) lists only the free energy function referenced to 0 K. This is defined

asi

FEF(O)

(T) T

H"(0)]

(15)

This free energy function for gaseous molecules

is readily calculated from spectroscopic

data

(25). In analogy with equation (14) above, the free energy of formation of compound B in reaction
(4) can be calculated as:

AIG"(T,B
T

= FEF(O,B)__-'vj[FEF(O,E,)]+
i

(16)

AIH'(O'B)
T

The problem is that for this free energy of formation--and

any free energy change calculation--

zX/ H" (0) is needed and this not always available.

The free energy

function

referenced

to 0 K can be converted

to the free energy

function

referenced to 298.15 K, as follows:

FEF(O)

= -[G"

- H"(298)]
T

[H"(298)-

H"(0)]

(17)

The second term is calculated from the low temperature heat capacities.

As pointed out by Lewis

and Randall (25), reasonable estimates can be made for this which introduce little error. The free

13

energy

function

referenced

to 298.15

K is given

in the JANAF

tables

(1) and the compendium

of

Barin (3).

IIl.C.

Barin

The tables
which

FEF(298),

of Barin

is the Gibbs

A i G" (T),

G" (T)

(3) give the same


energy

(26).

FEF(298)

It should

referenced

to 29815

K as the "Gibbs

somewhat

confusing

nomenclature

Selected

entries

from

and

and AfG"

(T),

but they also include

be noted that Barin (3) refers to the free energy


energy
the

function"
"free

energy

or the "free
function"

Barin for Si(s) and Si(g) are given in Tables

enthalpy
is more

IVa and IVb.

G (T),
function

function".

This

commonly

used.

14

T/K

H"(T)

H" (T) - H" (298)

A/.H"(T)

G" (T)

A t G" (T)

298.15

-5.611

5O0

4.438

4.438

-10,619

1000

16.943

16.943

-30.390

1500

30.648

30.648

-56.979

Table IVa. Selected


JANAF

T/K

tables

H"

from Barin (3) for Si(s).

S and FEF(298)

are the same

as those

in the

as those

in the

(1).

(T)

H" (T) - H" (298)

Z_

"

(T)

G"(T)

AfG"(T

450.000

399.917

405.528

4.373

449.935

364.773

375.392

464.903

14.903

447.960

271.090

301.480

475,447

25.447

444.799

171.908

228.888

298,15

450.000

500

454,373

1000
1500

Table IVb. Selected


JANAF

values

tables (1).

values

from Barin (3) for Si(g).

S and FEF(298)

are the same

15

Again, consider reaction (4). The free energy of formation of compound B can be calculated from
the Gibbs energy functions as follows:

A ,(;"(7".B) =

.vy

(r,E,)

(18)

Thus if the free energy of formation of a compound is known from the JANAF tables (1) and the
Gibbs energy functions for its constituent

elements are known, the compound's

Gibbs energy

function is:

G"(T,B)

= A/G'" (T,B)+

_v

(19)

G"(T,_
,_,E,.)

Using the JANAF table (1) data only, we can convert to Gibbs energy functions via the following:

G"(T)

= H"(T)-T

S"(T)

Also note that G'(T)

=[AtH"(298)+(H"(T)-H"(298))]-T

(20)

is the first term in the free energy function referenced to 298.15 K. Thus for

pure elements, where H" (298)

G" (T) = -FEF(298)

For compounds

S(T)

where

is equal to zero:

(21)

*T

H"(298)

does not equal zero, we can use

FEF(298)

to calculate

G" (T) as follows:

G" (T) = [A / H" (298) + ( H" (T) - H" (298)]

- T * [FEF(298)]

(22)

16

By definition the Gibbs energy is referenced to the elements in their most stable aggregation
298.15 K. Dinsdale (5) has taken data from a range of sources and converted
energy

functions.

These data is most commonly

database) for thermochemical

G-

HSER or G-

Here HSER

or

calculations.

used in computer

it to the Gibbs

databases

(eg SGTE

It is often written as:

(23)

H29B

H298

at

is the weighted average of the elements in the particular compound

(27),

which is zero. Thus the HSER in the above quantities is always zero and simply a mnemonic to
specify the Gibbs energy referenced

to 298.15 K.

Typically

G-HSER

is presented

in the

following functional form:

G - HSER

= a + bT + cT ln(T) + _d,,T"

(24)

II

Generally the power terms are:

G - HSER

= a + hT + cTln(T)

+ diT 2 + d2T 3 + d3 T-1

(m)

This expression can be easily differentiated to obtain the entropy:

S=

( O(G-

HSER)

(26)

I?

the enthalpy:

(27)
H =(O[(G-HSER)/T])

and the heat capacity:

(,

= _T[

(28)

c32(G-HSER))
OT 2

Summary and Conclusions

There

are numerous

temperatures.

sources

of thermochemical

data for

inorganic

compounds

However the data in these compendia are often in very different forms.

report we survey the main compendia and catalog the forms of the data presented.

at high
In this

Equations are

provided for easy conversion between the different data forms.

The most recent databases contain thermodynamic

data in the form of the Gibbs energy function.

This is referenced to 298.15 K. This function and its relation to Gibbs energies of formation and to
free energy functions are discussed.

18

Appendix I. Tabulations of Thermochemical

Data

Author, Title, Date

Format

Quantities

Chase, et al., .JANAF

Tabular,

C,,....(T), S

Thermochemical

Electronic

A/

Gurvich,

Tables (1998)

et. al., Thermochemical

Tabular,
Electronic

Properties of Indivual Substances

Ref

(T), FEF(298),

(T),AtG'(T),

H ,, (T) - H o (T,),

logK

t , A,,.H
2

C;', (T), FEF(O),

H" (T) - H" (0), S" (T),

Iog K / ,A I H" (O),A / H" (298),A,rH"

(1989)
Barin,

Thermochemical

Data

of

Tabular

the Indivual Substances (1989)

C,, (T), S" (T), FEF(298),

Pankratz, Thermodynamic

Tabular,

Properties of Elements and

Functional

(T), log K r , A,H


4

C;',, S" (T), FEF(298),


A t H",A

H" (T) - H" (298),

fG" (T ), log K f ,A,,H

Oxides (1982)
Pankratz, Thermodynamic
Properties of Halides (1984)
Pankratz, Mah, and Watson,
Properties of

Sulfides (1987)
Pankratz, Thermodynamic
Properties of Carbides, Nitrides,
and other Selected Substances
Cp

(1994)
Pankratz, Stuve, and Gokcen,

H" (T) - H" (298), G" (T), A.t H (T),


AG"
.z

Thermodynamic

(T),

7. S" (T), H" (T) - H" (298),

AH"
t
Tabular

(T),AfG"(T)

19

Thermodynamic

Data for Mineral

Technology (1984)
Dinsdale,

SGTE

Data for

Pure

Functional

G-

Electronic

G - HSER

HSER

Elements (1991 )
SGTE Database

for most compounds

t_

C t,, A t H" (298) for some compounds


Electronic

Database for HSC

A,t H" (298), S" (298), C,, (T)

Functional
Cox, et al., CODATA Key Values
for Thermodynamics

Tabular

C'_ (T), FEF(O),

H" (T) - H" (0)

(1989)

Hultgren, et. al., Selected Values


of the Thermodynamic

Tabular

Properties

CI',, H" (T) - H" (298), S" (T) - S(298),


FEF(298),A,,,,pG"

A,,,.pH",A,rH,

logP(vapor)

of the Elements (1973)


Robie and Hemingway,
Thermodyanamic

Tabular

S" (298),

A/H"

(298), A/G (298)

for many

10

minerals

Properties of

C ,,"(T)," S;' (T), H" (T) - H (298), FEF(298),

Minerals and Related Substances

A f H" (T),AfG"(T),IogK/,A,.H(T)

at 298.15 K and 1 Bar Pressure

selected

for

minerals

and Hi.qher Temperatures

11

Kubachewski,
The Thermodynamic

Properties of

AfG

Double Oxides

Functional

Kubachewski, Alcock, and

Tabular,

Spencer, Materials

Functional

Thermochemistry

Cr(T),S"(298),AfH

(298),A,rH

12

20

Tabular

Elliot and Glieser,


Thermochemistry

for Steel Makin,q

Mills, Thermodynamic

Data for'

C_ (T), S" (T), FEF(298),


A 1H"(T),AIG"(T),

Tabular

Tellurides (1974)

A ! G"(T),IogK_,
Tabular

Thermodynamic

14

(T), FEF(298),

H" (T) - H" (298),A

6 ""TS"
p (),

f H" (T),

(T), FEF(298),

H" (T) - H" (298),

A i G" (T) for the carbonate

Data on Metal

13

IogKj,,A,,H

C ,, (T), S

Inorqanic Sulfides, Selenides, and

Chang and Ahmad,

H" (T) - H" (T, ),

from

15

the metal oxide

and CO z

Carbonates and Related Oxides


(1982)
Schick, Thermodynamics

of

Tabular

Certain Refractory Compounds

16
el' ,(T), S" (T), FEF(298),
A/H"

H" (T) - H" (298),

(T), A I G" (T), log K_,

(1966)
Rossini, et. al., Selected Values of

Tabular

Chemical Thermodynamic

Cp(298),S

17

(298),AjH

(0),

A t H" (298), A rG" (298)

Properties (1961 )
Stull and Sinke, Thermodynamic

Tabular

Properties of the Elements (1956)

Wagman, et. al., Selected Values


of Chemical Thermodynamic
Properties (1965)

18
Cj', (T), H" (T) - H" (298), S" (T)
FEF ( 298), A t H" (T), A fG" (T)

Tabular

AjG"

19

II

C,,(T),S"(298),AfH
(298), H" (298)

(O),AfH"(298),
- H" (0)

21

Appendix II. Notation in the JANAF (1), TPIS(2), Barin (3), and this report.
JANAF (1)

TPIS (2)

Barin (3)

This Report

Meaning

7'

Absolute temperature, degrees Kelvin

"" T
(,,()

Cp

C,,(T)

,o

I'

Heat Capacity at constant


Pressure

S"(T)

Absolute entropy of a given substance,

S"(T)

equal to zero at 0 K
(G - H298)

I_," -II"(T,.)]/T

Free energy function referenced

FEF(298)

to 298.15 K
Free energy function

FEF(O)

O"(T)

Referenced to 0 K
Enthalpy difference between enthalpy at

H"(T)-H"(O)

temperature T and 0 K
H

Enthalpy for compound B--B not always

H" (T, B)

included if it is clear from the context


Enthalpy difference between

H-H298

H"-H"(T,.)

Enthalpy at temperature T and 298.15 K

m I 1["

AIH"(T

AH l

A.IH"(T

Enthalpy of formation of a given


substance from the elements in their
conventional standard states at a
temperature T

G-

A r(d ''

AG/

Gibbs energy function

G"(T),

HSER

G"

(T)

Gibbs energy of formation from the


elements in their conventional standard
states at a temperature T

22

K"(T)

K /

K/

Equilibrium

constant

the compounds

Superscript

Superscript

Superscript

for the formation

from their elements

conventional

reference

states

Conventional

standard

stateI1

temperature

of interest,

of the element

of
in

bar,

most stable

at that temperature

form
of

interest
SER

Standard

Element

1 bar, 298.15
element

a //;'
I/"

Air]] r

Enthalpy

Reference

K, most stable

at 298.15

of transformation

State-form of the

,)

23

Annotated

1.

Bibliography

The JANAF

carefully

la.

Stull,

National

lb.

National

lc.

JANAF

M. W.

for National

Some

Bureau

3'_ ed.;

Chemical

D. J.,

Journal

Society

NSRDS--NBS

37,

McDonald,

of Physical

and American

R. A., and

and

Physical

Chemical
Society

for

NY, 1986.

Thermochemical

Tables,

No. 9, American

of Standards:

tables

J. R. Jr., Frurip,

Tables,

14, 1985, American

Monograph

2nd ed.,

4t" ed.; Joumal

Chemical

Society

of Physical

and American

and

Physical

New York, NY, 1998.

and a good

deal of useful

information

is available

on the NIST

Web Page: http://webbook.nist.gov/chemistry/

The Russian

carefully

assessed

is given

to each

translation

Thermochemical

Data,

Tables,

use:

DC, 1971.

Downey,

New York,

This data has been

of each data set. It is now in its

are still in common

Thermochemical

Washington,

C. A.,

tables.

is given for the source

JANAF

Jr. NIST-JANAF

of the JANAF

used thermochemical

and third editions

H.

of Standards:

Reference

Chemistry

2.

of Standards:

Data, Volume

Chase,

Society

Bureau

Chemical

Prophet,

M W. Jr., Davies,

A.

Reference

description

the second

D. R. and

Chase,

the most widely

A detailed

although

Bureau

Syerud,

lb.

are perhaps

assessed.

fourth edition,

for Main Text and Appendices:

tables

"Thermodynamic

data. A detailed
substance.

of Volumes

Listed

1-3, Volume

Properties

text describes
below

of Individual
the sources

are three

4 is expected

Substances"

of the data and a level of accuracy

versionsmthe
out soon,

(TPIS) are also

Russian

version,

and the electronic

the English
version.

The

_,

I,

24

electronic

version

functional

form of ('",P FEF(O),

2.a

Glusko,

has the option

V. P., Gurvich,

G. A., and Jungman,


Nauka Publishers:

2.b.i.

Gurvich,

Substances,

2.b.ii.

2.b.iii.

Moscow,

L. V.,

Gurvich,

L. V.,

L. V.,

Thermodynamic
Database

3.

Veyts,

5, National

The tables

to the newer version,

Vertag:

and Alcock,

III, Begell House:

I. V.,

Iorish,

Barin,
Berlin,

V. S.,
and

Institutes

which

I. and Knacke,
1973.

of Pure

House:

JANAF

Medvedev,
Substances,

B. Thermodynamic

form, TPIS

(298),

form, or

and S" (T).

V. A., Khachkuruzov,
3_ded., Volumes

Publishing

C. B.

Properties

Corporation:

I-IV,

System

Thermodynamic

Thermodynamic

D. V.,

Yungman,

the

and Technology:

do not appear

O. Thermochemical

Properties

of Indivual

in both tabular
in tabular

Properties

S. IVTANTHERMO--A

Computer,

Gathersburg,

to be as thoroughly

only gives the heat capacity

of Indivual

1999.

V.

Personal

data in the form of the Gibbs

gives the heat capacity

Properties

1989.

C. B.

for

of Indivual

New York, 1989.

New York, to be published

Chekhovskoi,

of Standards

C.

New York,

and Alcock,

Software

to contain

version

Properties

and Alcock,

I. V.,

of Barin and Knacke

the text. The older

G. A., Veitz, I. V.,

I and II, Hemisphere

Veyts,

are the only major tables

3a.i

I. V.,

Veyts,

Database

of the output:

H" (T) - H" (0), H" (T) - H"

Bergman,

4th ed., Volume IV, Begell

Gurvich,

the format

1982 (in Russian).

4th ed., Volume

Substances,

2.c.

L.V.,

4th ed., Volumes

Substances,

FEF(298),

V. S. Thermodynamic

L. V.,

Gurvich,

of selecting

Special

MD, 1993.

assessed

energy

NIST

function,

and functional

data.

The tables

as discussed
form, as opposed

form.

of Inorganic

Substances,

Springer-

in

lip

25

3.a.ii.

Barin,

I.,

Substances,

3b.

O.,

Springer-Verlag:

Barin,

Germany,

Knacke,

I. Thermochemical

L. B.
Bureau

4b. Pankratz,

L. B.

Bureau

Pankratz,

Bulletin

4d.

Data

of Pure

Pankratz,

Washington,

Pankratz,

Technology,

from the former

Substances,

Thermodynamic

of Mines,

US Bureau

of

Inorganic

Volumes

1 and

2, VCH:

Wienheim,

Properties

Washington,

Parts

B.

of the Interior,

Thermodynamic

1 and

2, Bulletin

Dinsdale,

Bulletin

672,

US Department

of Halides,

Bulletin

674,

US Department

of the

D.C., 1984.

L. B., Mah, A. D., and Watson,

L.

and Oxides,

D.C., 1982.

S. W.

Bureau

Properties

Thermodynamic

Properties

of Mines, Washington,

of

Carbides,

of the Sulfides,

D. C., 1987.

Nitrides,

696,

US Department

of the

Interior,

and

Gokcen,

Thermodynamic

and

other

Bureau

Selected
of Mines:

D. C., 1994

L. B.,
Bulletin

Stuve,
677,

J. M,

US Department

A. T., Calphad1991,

N. A.

of the Interior,

1984.

5.

Properties

of Mines.

Data of Elements

of Mines: Washington,

388, US Department

Substances,

4e.

Thermochemical

1977.

Thermodynamic

of the Interior,

4c.

O.

1989.

Pankratz,

Interior,

Kubachewski,

Berlin,

4. This is a series of Bulletins

4a

and

15, 317-425.

Bureau

of Mines,

Data

for

Washington,

Mineral
D. C.,

Pt I

26

6.

Scientific

Group

Thermodynamic

http://wwwsgte.org/(accessed

7.

The database

extensive,
additional

Roine,

it has

not been

thermochemical
assessed.

HSC

Chemistry_

Hemisphere,

New York,

1989.

9.

R., Desai,

P. D., Hawkins,

Hultgren,

Selected

Values

Page

The

manual

contains

is quite

numerous

references

to

version

3.0,

Outokumpu

Research

Oy,

of the Thermodynamic

V. A CODATA

D. T., Gleiser,
Properties

M.,

Key Values for Thermodynamics,

Kelley, and

of the Elements,

Wagman,

American

D. D

Society

for Metals:

Park, OH, 1973.

10. This

deals

primarily

http://www.science.u
at 298.15

with

mineral

compositions.

It is available
However

bc.ca/%7Eoeo1323/thermo/robtable.htm

on

the worldwide

the web version

web

at

lists only data

K.

R.

Substances
Survey

Home

1997.

D. D., and Medvedev,

Robie,

Database,

code for pure substances

for Windows,

8. Cox, J. D., Wagman,

Metals

Substance

data sources.

A. Outokumpu

Finland,

Pure

June 1999).

for this computational

although

Europe

A.

and

Hemingway,

B. S.

Thermodyanamic

at 298. 15 K and 1 Bar Pressure

Bulletin

11. Kubachewski,

1452, United States

Government

O. High Temperatures-

and Higher
Printing

High Pressures

Properties

of

Temperatures,

Minerals
Bulletin

Office: Washington,

1972, 4, 1-12.

and

Related

U.S. Geological

1978.

27

12.Thetextbookby Kubachewski,
AlcockandSpenceris a classic,nowinitssixthedition.It
containsawealthofinformation
onexperimental
thermochemistry
aswellasextensivetables.

Kubachewski,
O.,Alcock,C.B.,andSpencer,
P. J.
Press:

New York,

Publishing

13b. Elliot,
Publishing

set contains

J. F. and Gleiser,
Company:

Company,

Reading,

York,

6th ed., Pergamon

data relevant

to steelmaking.

for Steelmaking,

Volume

1, Addison-Wesley

for Steelmaking,

Volume

2, Addison-Wesley

MA, 1960.

M. Thermochemistry

Reading,

MA, 1960.

compendium

Mills, K. C. Thermodynamic

thermochemical

M. Thermochemistry

J. F. and Gleiser,

14. This extensive

Thermochemistry,

1993.

13. This two volume

13a. Elliot,

Materials

contains

assessed

Data for Inorganic

data on the sulfides,

Sulphides,

Selenides,

selenides,

and Tellurides,

and tellurides.

Plenum:

New

1974.

15. Chang,

Y. A. and Ahmad,

The Metallurgical

16. Schick,
Academic

Society

N.

of AIME: Warrenda!e,

H. L. Thermodynamic
Press:

Thermodynamic

New York,

17. This is one of the earlier

Properties

Data on Metal

Carbonates

and Related

Oxides,

PA, 1982.

of Certain

Refractory

Compounds,

Volumes

I and II,

1966.

compendia

and has been widely

referenced.

It was a basis for the

,.

_1

28

more recent works.

F. D. Rossini,
Chemical

D. D. Wagman,

Thermodynamic

National

Bureau

18. This contains

W. H. Evans, S. Levine,
Properties,

of Standards:

elemental

Part

Washington,

and I. Jaffe

I. Tables

and

Part

Selected

Values of

I1: References,

Circular

500,

D. C., 1961.

data in convenient

form and is often quoted.

However

much of the

data have since been updated.

Stull,

D. R. and Sinke,

Society:

Washington,

19. Wagman,
Selected

of Chemical

Washington,

G. and Hack,

21. "A Report

of IUPAC

Tabulated

of the Word
Forms

of the Elements,

American

Chemical

Thermodynamic
Order

I., Parker,

V. B., Bailey, S. M,

Properties

of Arrangement,

and Schumm,

Part I. Tables for the First

Technical

Note

270-1,

R. H.

Twenty-Three

National

Bureau

of

D. C., 1965.

20. Eriksson,

Significance

W. H., Halow,

in the Standard

Standards:

Properties

D. C., 1956

D. D., Evans,

Values

Elements

G. C., Thermodynamic

Met. Trans.

Commission
"Standard"

of Thermodynamic

1990, 21B, 1013.

1.2 on Thermodynamics:
in Chemical
Functions,"

Notation

Thermodynamics,
M-1448,

for States

and Remarks

J. Chem.

and Processes,
on Commonly

Thermodynamics

1982,

805.

22. Bale, C. W. and Eriksson,

G.

23. Gokcen,

R. G

N. A. and Reddy,

Canadian

Metall.

Quart. 1990, 29, 105.

Thermodynamics,

2"_ ed., Plenum

Press:

New York,

1996.

14,

29

24. Turkdogan,

E. T. Physical

New York,

1980.

25. Lewis,

G. N. and Randall,

McGraw

Hill: New York,

Chemistry

M. Revised

of High Temperature

by Pitzer,

K. S. and Brewer,

I. and Knacke,

O. Met. Trans. 1974, 5, 1769.

27. Hack,

K.,

Casebook

1996.

Academic

Press:

L., Thermodynamics,

1961.

26. Barin,

The SGTE

Technology,

Thermodynamics

at Work, Institute

of Materials:

London,