MOLECULAR THERMODYNAMIC MODEL FOR FLUIDS CONTAINING ASSOCIATED MOLECULES

摘要

With the statistical mechanical theory for square-well-chain fluids as the basic princi-ples,a molecular thermodynamic model including expressions for the Helmholtz function and thecompressibility factor for associated square-well-chain fluids has been developed.Employment ofthe shield-sticky concept enables the corporation of association bonds between in the model.Good agreement with computer-simulation results for dimer-linear quadrimer systems is obtained.Satisfactory correlation for vapor pressures and saturated liquid volumes of pure substances con-taining associated molecules(such as carboxylic acids,alcohols,amines,water,etc.)with four mo-lecular parameters indicates the applicability of the model.