On the prediction of thermodynamic properties by atomistic simulation : from vapor-liquid equilibrium of alcohols to self-assembly in mixed solvents
Date
2020
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Publisher
Stuttgart : Universität Stuttgart, Institut für Technische Thermodynamik und Thermische Verfahrenstechnik
Abstract
This dissertation presents the results of atomistic molecular simulations. Therefor systems of varying complexity with relevance in materials science, biotechnology and chemical engineering have been considered.