MODIFIED NUMERICAL TABLES FOR THE CALCULATION OF NON-SPHERICAL CONTRIBUTION TO SECOND VIRIAL COEFFICIENTS AND THE CORRELATION EQUATIONS OF STATE FOR CO,, CS, AND C6H6
A revised analysis of the effect of long-range nonspherical terms in the intermolecular potential on the second virial coefficient is presented with a preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment of the integrations for small intermolecular distances. A set of modifi...
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| Format: | Article |
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| Language: | English |
| Published: |
University of Tehran
1997-06-01
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| Series: | Journal of Sciences, Islamic Republic of Iran |
| Online Access: | https://jsciences.ut.ac.ir/article_31424_4e08631e5b7a344670977ff087cae6c4.pdf |
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| Summary: | A revised analysis of the effect of long-range nonspherical terms in the
intermolecular potential on the second virial coefficient is presented with a
preferred Hartree-Fock-Dispersion functional (HFD-C) spherical core treatment
of the integrations for small intermolecular distances. A set of modified numerical
tables for the accurate calculation of the nonspherical contribution to the
second virial coefficients is presented and a new correlation equation of B~O
for C02, CS2 and C6H6 is reported |
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| ISSN: | 1016-1104 2345-6914 |