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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 density of CO2 and CO2-n-pentane, CO2-n-heptane binary mixed fluids were measured at 308.15K and 6-12MPa, and the partial molar volume of solute was calculated. On this basis, we combine the partial molar volume with the MonteCarlo molecular simulation to study the intermolecular interaction and the structure of the solution with pressure and density in CO2-n-pentane and CO2-n-heptane binary systems.