Affordable Access

Molecular simulation of tunable materials: Metal-organic frameworks & ionic liquids theory & application

Authors
  • Becker, T. (author)
Publication Date
Dec 13, 2019
Source
TU Delft Repository
Keywords
Language
English
License
Unknown
External links

Abstract

Undoubtedly, materials that can be tuned on a molecular level offer tremendous opportunities. However, to understand and customize such materials is challenging. In this context, molecular simulation can be helpful. The work presented in this thesis deals with two types of materials, Metal-Organic Frameworks and Ionic Liquids, and the study with molecular simulation to determine their potential for specific gas separations. For the prediction of their behavior and relevant materials properties with molecular simulation, force fields of sufficient quality are required.. / Engineering Thermodynamics

Report this publication

Statistics

Seen <100 times