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My research focuses on development and analysis of correlations and predictive models for thermodynamic properties of fluids for chemical process modeling, simulation and design.

Simple relationships are sought between molecular structure and thermodynamic properties. For densities and activities of strongly non-ideal fluid this is offered for example by statistical mechanical methods based on molecular correlation functions and their connections to fluctuation properties. Examples of applications are:

- thermodynamic modeling and microscale simulation for properties relevant to biocatalysis

- mixed solvents (ionic and nonionic liquids, vegetable oils and bitumen) with dissolved gases, enzymes and pharmaceuticals

Applications are also in the area of separation process energy requirements to determine efficiencies of heat-integrated separation processes, heat pump systems etc.. Frequent collaborations on the interplay between process modeling, process control and property modeling.




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