Laboratory of Thermodynamics, Department of Biochemical and Chemical Engineering, TU Dortmund University, Emil-Figge-Str. 70, 44227 Dortmund, Germany.
Chem Commun (Camb). 2022 Jul 26;58(60):8436-8439. doi: 10.1039/d2cc02943j.
Proton activity, which is usually expressed as a pH value, is among the most important properties in the design of chemical and biochemical processes as it determines the dissociation of species in aqueous mixtures. This article addresses the prediction of pH values in multiphase systems based on the IUPAC definition proton activity. The required proton activity coefficients were predicted using the thermodynamic equation of state ePC-SAFT advanced. The developed framework considers reaction equilibria and phase equilibria (vapor-liquid and liquid-liquid) to predict pH in the equilibrated liquid phases.
质子活度通常用 pH 值表示，是化学和生化过程设计中最重要的性质之一，因为它决定了水溶液中物种的离解。本文根据 IUPAC 定义质子活度，解决多相体系 pH 值的预测问题。采用热力学状态方程 ePC-SAFT 高级方法预测所需的质子活度系数。所开发的框架考虑了反应平衡和相平衡（汽液平衡和液液平衡），以预测平衡液相中的 pH 值。
