Correlation of vapor-pressures for alkanes and alkylbenzenes using molecular connectivity.

概要

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The AMP (Abrams-Massaldi-Prausnitz) equation based on a kinetic theory of fluids was applied to calculate the vapor pressures for alkanes (C2-C18) and alkylbenzenes (C6-C18). The parameters in the AMP equation were correlated by the molecular connectivity which was introduced to consider the structure of molecules and the influence of number of side chains. The vapor pressures of alkanes and alkylbenzenes, in the 10 to 1500mmHg region, could be correlated with absolute average error less than 10% by using the AMP equation coupled with the molecular connectivity.
日本熱物性学会の論文