Interaction second virial coefficients for six binary systems containing carbon dioxide, methane, ethylene and propylene at 125.DEG.C.
نویسندگان
چکیده
منابع مشابه
Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient
An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...
متن کاملab initio interaction potential of methane and carbon dioxide: calculation of second-virial coefficient
an interaction potential at different orientation for the ch4 and co2 complex was derived at theb3lyp level of theory and 6-31+g* basis sets. the potential energy surface was computed on somemolecular geometries. the complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. to determine the second virial coefficients b, u(r) is used to obtain themodel’s ...
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The virial coefficients can be obtained from statistical mechanics in connection with the intermolecular potentials. The intermolecular potential of polyatomic molecules is usually assumed to consist of a spherically symmetric component plus a contribution due to asphericaity of the molecular charge distribution. In this study, the second virial coefficients have been calculated for N2...
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Second and t hird vi rial coeffi cie nts for para hydroge n ha ve been derived fr om closelv spaced PVT data from 24 t o 100 OK . They are in good agreemen t at J 00 oK wi t h publis hed data for normal hydrogen . An aly t ical represe nta t io ns of t he co mbined data fr om. a bout 20 t o 423 OK are presented whi ch may be usefu l in co mpu tat io n of t hermody na mi c fun ctio ns of the gas...
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In the present work, a modified correlation is presented for the second virial coefficients of both polar and nonpolar fluids based on the corresponding states principle. The second virial coefficients of gaseous polar and non-polar compounds were calculated and compared with experimental data and with other correlations. Comparisons with the existing correlations show that the present work is ...
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ژورنال
عنوان ژورنال: JOURNAL OF CHEMICAL ENGINEERING OF JAPAN
سال: 1982
ISSN: 0021-9592,1881-1299
DOI: 10.1252/jcej.15.85