论文部分内容阅读
在交叉缔合的均相状态方程的基础上,结合密度梯度理论(density gradient theory,DGT),建立了适用于CO2-甲醇和CO2-乙醇二元体系界面性质研究的状态方程,对CO2-乙醇体系表面张力的关联结果与实验值吻合良好.阐明了CO2分子与甲醇分子和乙醇分子之间的交叉缔合作用对二元体系表面张力计算结果的影响,以及界面相中CO2与醇羟基之间的交叉缔合与温度和压力之间的关系.
Based on the cross-coupled homogeneous state equation and the density gradient theory (DGT), the equation of state for the study of interface properties of CO2-methanol and CO2-ethanol binary systems was established. The correlation between the surface tension of the system and the experimental data is in good agreement with the experimental data.The effect of cross-association between CO2 molecules and methanol molecules and ethanol molecules on the calculation results of the surface tension of the binary system is clarified and the relationship between CO2 and alcoholic hydroxyl groups Cross-association with temperature and pressure.