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分别采用微扰理论和平均球近似(MSA)处理实际流体偶极──偶极间的相互作用,结合统计缔合流体理论(SAFT)处理氢键缔合相互作用,建立了一个纯缔合流体的状态方程.用分子链节微观参数分别关联了37种纯缔合流体(水、醇、酸和胺)的饱和液相密度和饱和蒸汽压.结果表明:采用微扰理论处理偶极──偶极相互作用的关联结果明显优于平均球近似,与分子模拟数据比较,结论一致.
Perturbation theory and mean sphere approximation (MSA) were used to deal with the actual fluid dipole-dipole interaction respectively. Combined with the statistical association fluid theory (SAFT) to deal with the hydrogen-bonding interaction, a pure association fluid The equation of state. The saturated liquid phase density and saturated vapor pressure of 37 purely associative fluids (water, alcohol, acid and amine) were correlated with the molecular parameters of molecular chain links respectively. The results show that the perturbation theory is better than the average sphere approximation in the dipole-dipole interaction, which is consistent with the molecular simulation data.