Thermodynamics of Industrially Relevant Systems
Method Development and Applications
Reza Rahbari (TU Delft - Mechanical Engineering)
Thijs J.H. Vlugt – Promotor (TU Delft - Mechanical Engineering)
David Dubbeldam – Promotor (Universiteit van Amsterdam)
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Abstract
Improving and developing simulation techniques are key to obtaining higher efficiency and accuracy in molecular simulations of dense liquid systems. The methodology development introduced in this thesis is relevant both for academia and industrial applications. In this thesis, the methods developments/improvements for molecular simulations are introduced followed by applications for realistic systems and systems of industrial relevance....