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Critical temperatures and pressures of hydrocarbons
Author(s) -
Forman J. Charles,
Thodos George
Publication year - 1958
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690040325
Subject(s) - van der waals force , chemistry , hydrocarbon , van der waals strain , van der waals radius , thermodynamics , hydrogen , computational chemistry , theorem of corresponding states , group (periodic table) , van der waals surface , molecule , organic chemistry , physics
A method has been developed for the calculation of van der Waals' constants both a and b for hydrocarbons usually encountered, including the aliphatic, naphthenic, and aromatic types. With these constants critical temperatures and pressures can be calculated directly. Methods recently made available ( 12, 13, 14, 15 ) allow the calculation of these constants through the use of substitution values involving the replacement of hydrogen atoms by methyl groups in a definitely prescribed pattern. In this study van der Waals' constants are directly calculated from a consideration only of the molecular structure of the hydrocarbon. This approach has become possible through the assignment of group contributions to different types of carbon atoms, which can be combined in any manner to produce the van der Waals' constants representative of the molecular structure of the hydrocarbon.