含醇体系超额性质模型TDAM的导出和应用

Establishment and Application of TDAM Modelfor The Excess Properties ofAlcohol-containing Systems

本文针对含醇体系的特性,基于缔合溶液理论,导出了一个形式简单、物理意义明确的溶液模型——TDAM.由于TDAM模型中引入了较为合理的温度关系,仅需两套不同温度下的超额焓数据,即可进行其它温度下超额焓数据以及汽液平衡数据的推算.将TDAM模型对非极性、极性体系超额焓的关联结果与其它常见溶液模型(Wilson、W-C和QCSM等)进行了比较,以TDAM模型为最佳;对含醇体系汽液平衡数据也进行了同样的比较,TDAM模型关联结果优于或相当于其它溶液模型.将该模型用于超额焓和汽液平衡的推算,结果令人满意.

A temperature-dependent association model (TDAM) based on the association solution theory was established to describe the excess enthalpy, HE, for the alcohol-containing systems. For a particular system, the system dependent parameters, A and B, were related to HE as follows: The relation between temperature and association heat, ΔH, was expressed as: where only three parameters, A, B, and ΔH', were needed. By interpolating the HE data of two temperatures, the HE data for the other temperatures could be predicted. The results correlated by the TDAM gave better agreement with experimental data than those by the QCSM and WILSON Models. The TDAM model can be used for predicting excess enthalpy and vapor -liquid equilibria with satisfactory results.