醇/烃系统的分子热力学(Ⅱ)1-2-4模型应用于汽液平衡

MOLECULAR THERMODYNAMICS FOR ALCOHOL - HYDROCARBON SYSTEMS (Ⅱ)APPLICATION OF 1 - 2 - 4 MODEL FOR VLE STUDYING

建立了1个醇/烃系统的分子热力学模型,用红外光谱法获得的醇的标准缔合常数应用于汽液平衡,能够很好地区分醇类缔合物质的化学作用和物理作用,所得化学参数和物理参数具有明确的物理意义.计算表明:本文提出的1-2-4缔合模型在应用1个二元可调参数的情况下能较好地描述含醇系统的汽液平衡性质.即使对于不同链长的正构醇采用统一的缔合常数,同样可获得较好的结果.

A molecular thermodynamic model for alcohol - hydrocarbon systems is presented. With the use of standard association constants obtained independently from infrared measurements, the chemical interaction in alcohol - hydrocarbon systems can be clearly distinguished from the physical interaction, chemical parameters and physical parameters are then uniquely determined. With one adjustable binary parameter, the proposed 1-2-4 model can satisfactorily describe vapor -liquid equilibria for alcohol -hydrocarbon systems. The results with accuracy of Dy = 0. 0122 can also be obtained if universal association constants independent of the chain length of alcohols are used.