摘要:

The chemical thermodynamic properties of alkanol(ROH) isomer groups from CH4O to C4H10O in the ideal gas phase have been calculated from 298.15 to 1000 K from tables of Stull, Westrum, and Sinke. In the absence of literature data on all isomers of higher isomer groups, the properties of isomers of C5H12O to C8H18O have been estimated using Benson group values. Equilibrium mole fractions within isomer groups have been calculated for the ideal gas state from 298.15 to 1000 K. For isomer group properties increments per carbon atom have been calculated to show the extent to which thermodynamic properties of higher isomer groups may be obtained by linear extrapolation. Values ofC○P,S○, &Dgr;fH○, and &Dgr;fG○are given for all species of alkanols from CH4O to C8H18O in SI units for a standard state pressure of 1 bar.

ISSN:0047-2689    

DOI:10.1063/1.555804

出版商:AIP    

年代:1987

数据来源: AIP

摘要:

In order to assess the high‐temperature vaporization behavior and equilibrium gas phase compositions over the condensed oxides of Be, Mg, Ca, Sr, Ba, B, Al, Ga, In, Tl, Si, Ge, Sn, Pb, Zn, Cd, and Hg, the relevant thermodynamic and molecular constant data have been compiled and critically evaluated. Selected values of the Gibbs energy functions of condensed and vapor phases are given in the form of equations valid over wide temperature ranges, along with the standard entropies and enthalpies of formation. These data were used to generate plots of equilibrium partial pressures of vapor species as functions of temperature for representative environmental conditions ranging from reducing to oxidizing. The calculated partial pressures and compositions agree, for the most part, with experimental results obtained under comparable conditions. Maximum vaporization rates have been calculated using the Hertz–Knudsen equation. Literature references are given.

ISSN:0047-2689    

DOI:10.1063/1.555799

出版商:AIP    

年代:1987

数据来源: AIP

摘要:

This study presents a computer programmable, thermodynamically consistent representation of the second virial coefficientB, viscosity &eegr;, self‐diffusion coefficientD, and isotopic thermal diffusion factor &agr;0of the eleven gases: N2, O2, NO, CO, N2O, CO2, CH4, CF4, SF6, C2H4, and C2H6, all at low density. Limited thermodynamic consistency is achieved by the use of four scaling parameters (&sgr;, &egr;,V@B|0, &rgr;*) in addition to the molecular weight. In terms of these parameters, the collision integrals for the transport properties obey a single law of corresponding states. Furthermore, &OHgr;(2,2)*(T) is the same as that for the universal correlation of the monatomic gases [J. Chem. Phys. Ref. Data13, 229 (1984)] whereas &OHgr;(1,1)*(T) is only slightly modified. The same parameters nearly correlate the spherical partB0(T)=B(T)−Bns(T) of the second virial coefficient corrected for the most important nonspherical influences; its dimensionless formB*0(T) differs from that for the monatomic gases and also, somewhat, for each of the eleven gases, except that one form suffices for N2, O2, NO, CO. The correlations embrace the reduced temperature range 1<T*<10 with the parameters &sgr; and &egr;, and the rangeT*>10 with the parametersV@B|0and &rgr;* derived from high‐energy beam experiments. The accuracy achieved is carefully specified, and

ISSN:0047-2689    

DOI:10.1063/1.555800

出版商:AIP    

年代:1987

数据来源: AIP

摘要:

It is found that the standard enthalpies of formation &Dgr;fH○298of double salts of the type MXaYbare related by a simple additivity relation to &Dgr;fH○298of their binary salts MXcand MYd. For divalent metals M this relation takes the form, &Dgr;fH○298(MXY) = 1/2  &Dgr;fH○298(MX2)+ 1/2  &Dgr;fH○298(MY2)+C, withC=−13.4 or −17.6 kJ/mol giving equally good fits to the data. From a lesser number of data for trivalent and tetravalent metals M, one finds again a simple additivity relation of the form &Dgr;fH○298(MXaYb) =(ax/z)&Dgr;fH○298(MXz/x) +(by/z)&Dgr;fH○298(MYz/y)+C, wherex,y, andzare the formal valences of X, Y, and M, respectively, so thatz=ax+by, andC=0. For 16 divalent metal compounds average deviations are 5.5 kJ/mol with a maximum deviation of 10.7 kJ/mol. For eight trivalent metal compounds the average deviations are 13.9 kJ/mol with a maximum of 50.6 kJ/mol. For five tetravalent compounds, the average deviations are 3.5 kJ/mol with a maximum of 6.3 kJ/mol.

ISSN:0047-2689    

DOI:10.1063/1.555801

出版商:AIP    

年代:1987

数据来源: AIP

摘要:

This publication contains evaluated and estimated data on the kinetics of reactions involving methanol and hydroxymethyl radicals and various small inorganic and organic species which are of importance for the proper understanding of methanol combustion and pyrolysis. It is meant to be used in conjunction with the kinetic data given in an earlier publication pertaining to methane pyrolysis and combustion, but which also contains a large volume of data that are applicable to the methanol system. The temperature range covered is 300–2500 K and the density range 1×1016to 1×1021molecules cm−3.

ISSN:0047-2689    

DOI:10.1063/1.555802

出版商:AIP    

年代:1987

数据来源: AIP

摘要:

A very extensive literature survey of all available phase diagram and thermodynamic data has been carried out for all 40 possible common‐anion binary systems (AX‐BX) and all 30 possible common‐cation binary systems (AX‐AY) involving the alkali halides (A,B =Li,Na,K,Rb,Cs; X,Y=F,Cl,Br,I). A critical analysis and evaluation of these data have been performed with a view to obtaining a ‘‘best’’ evaluated phase diagram and a set of ‘‘best’’ evaluated thermodynamic parameters for each system. To this end, a computer‐assisted coupled analysis of the phase diagram data and the thermodynamic data for each system has been employed. Mathematical expressions for the thermodynamic properties of all known phases have been obtained which are consistent with the measured thermodynamic properties and phase diagrams as well as with established thermodynamic principles and theories of solution behavior. The parameters of these expressions are reported here and have been used to generate the computer‐calculated diagrams in the compilation.

ISSN:0047-2689    

DOI:10.1063/1.555803

出版商:AIP    

年代:1987

数据来源: AIP