摘要
建立了一个微扰理论模型来计算流体的汽液平衡。该模型将分子分为等直径的链节，以硬球流体为参考流体，以成链项、Ｌ－Ｊ作用项和偶极－偶极作用项为微扰项。计算了链烷烃、环烷烃、烯烃、芳烃和酮等共４８种非极性及弱极性纯流体的汽液平衡，并计算了１０个二元混合流体的汽液平衡，结果令人满意。
A perturbation theory model was set up for calculating vapor liquid equilibrium (VLE). The molecule was divided into same size segments and the hard sphere fluid was taken as reference fluid. The chain formation energy, L J interaction energy and polar polar interaction energy were taken as perturbation terms. The VLE of 48 pure alkanes, cyclo alkanes, olefins, aromatics, and ketones as well as 10 binary systems were calculated, and the results are satisfactory.
出处
《清华大学学报（自然科学版）》
EI
CAS
CSCD
北大核心
1998年第12期96-99,103,共5页
Journal of Tsinghua University(Science and Technology)
基金
国家自然科学基金
关键词
汽液平衡
混合流体
微扰理论
弱极性流体
vapor liquid equilibuium (VLE)
pure fluid
mixture fluid
perturbation theory
