Phase equilibria of liquid mixtures in the presence of solids or gas phases

多组分液体混合物常用于分离和净化过程的工业实践。然而，他们的理论描述仍然具有挑战性。这适用于液-汽平衡和液-液平衡，也适用于多孔或分散固体的吸附平衡。由于确定平衡数据需要相当大的努力，因此需要可靠的预测。在这个项目中，相平衡的热力学模型在固体的存在是有待改进的。为了实现这一目标，将在统计热力学的基础上进一步发展目前使用的绝对和过量形式的二元数据多组分吸附平衡预测模型。界面和混合物热力学的增强联系将更强地考虑流体-流体相互作用对吸附的影响，特别是对于具有混相间隙的实际混合物。为了评估新计算模型的适用性，将使用非缔合组分和缔合组分的实际流体混合物的实验吸附等温线。鉴于能源效率的分离和净化过程，预期的工作有助于基础热力学研究。

Multi-component liquid mixtures are often used in the industrial praxis of separation and purification processes. Their theoretical description, however, remains still challenging. This applies for liquid-vapour and liquid-liquid equilibria as well as for the adsorption equilibria on porous or disperse solids. Reliable predictions are required due to the considerable effort for the determination of equilibrium data. In this project, the thermodynamic modeling of phase equilibria in the presence of solids is to be improved. In order to meet this objective, the models for prediction of multicomponent adsorption equilibria from binary data using the absolute and excess formalisms used so far will be further developed on the base of statistical thermodynamics. An enhanced connection of the thermodynamics of interfaces and mixtures will stronger take into account the influence of fluid-fluid interactions on adsorption - in particular for real mixtures exhibiting miscibility gaps. For evaluating the suitability of the new calculation model, experimental adsorption isotherms of real fluid mixtures of non-associating and associating components will be used. In light of energy efficient separation and purification processes, the intended work contributes to fundamental thermodynamic research.