混合超临界流体的密度及分子间相互作用

Study of Molecular Interaction in Mixed Supercritical Fluids by Molecular Simulation and Partial Molar Volume Measurement

在３０８．１５Ｋ、６－１２ＭＰａ范围内，测定了ＣＯ２及ＣＯ２－正戊烷、ＣＯ２－正庚烷二元混合流体的密度，并计算了溶质的偏摩尔体积．在此基础上，将偏摩尔体积与ＭｏｎｔｅＣａｒｌｏ分子模拟研究相结合，研究了ＣＯ２－正戊烷、ＣＯ２－正庚烷二元系中的分子间相互作用和溶液的结构随压力和密度的变化．

The densities of the mixtures of CO_2- n-pentane and CO_2- n-heptane were determined at 308. 15 K under the pressure range from 7 to 12 MPa. The partial molar volumes of the solutes were calculated. Intermolecular interaction between CO_2 and the solutes was studied based on the partial molar volume data and Monte Carlo simulation.