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document
Becker, T. (author)
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...
doctoral thesis 2019
document
Luna-Triguero, Azahara (author), Vicent Luna, J.M. (author), Becker, T. (author), Vlugt, T.J.H. (author), Dubbeldam, D. (author), Gomez-Alvarez, Paula (author), Calero, Sofia (author)
An increase in demand for energy efficient processes for the separation of saturated and unsaturated light hydrocarbons mixtures drives the need of noncryogenic processes. The adsorptive separation using Metal-Organic Frameworks with coordinatively unsaturated metal sites may provide a cost-effective alternative due to the strong binding of the...
journal article 2017