Investigation of the Phase Equilibria and Interfacial Properties for Non-polar Fluids

作     者：付东 赵毅 

作者机构：SchoolofEnvironmentalScienceandEngineeringNorthChinaElectricPowerUniversityBaodingHebei071003China 

出 版 物：《Chinese Journal of Chemistry》 (中国化学（英文版）)

年 卷 期：2005年第23卷第4期

页      面：386-392页

核心收录：

学科分类：07[理学] 070304[理学-物理化学(含∶化学物理)] 0703[理学-化学] 

主　　题：density functional theory renormalization group theory phase equilibria surface tension non‐polar fluid 

摘      要：A self‐consistent density‐functional theory (DFT) was applied to investigate the phase behavior and interfacial properties of non‐polar fluids. For the bulk phases, the theory was reduced to the statistical associating fluid theory (SAFT) that provides accurate descriptions of vapor‐liquid phase diagrams below the critical region. The phase diagrams in the critical region were corrected by the renormalization group theory (RGT). The density profile in the surface was obtained by minimizing the grand potential. With the same set of molecular parameters, both the phase equilibria and the interfacial properties of non‐polar fluids were investigated satisfactorily.