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Computing Thermodynamic and Transport Properties of Solutions using the Kirkwood-Buff Theory
The Kirkwood-Buff (KB) theory is useful for connecting microscopic behaviour with macroscopic properties including partial molar enthalpies,…
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Atomistic Molecular Dynamics Simulations (MD) of Ionic Liquids (ILs) and Deep Eutectic Solvents (DESs) for designing novel green ILs and DESs
The aim of the research project is to investigate a wide variety of ILs and DESs by obtaining a detailed molecular understanding for the…
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Catalytic conversion of aromatics in zeolites
Zeolites are widely used for separation and catalytic conversion of aromatic molecules, especially in the petrochemical industry, where its…
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Chemical Equilibrium in Monte Carlo simulations
Accelerating climate change is one of the big issues in the modern society. Carbon capture using Ionic Liquids (ILs) or hybrid aqueous…
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T.S.D. (Thom) Groen
S.J. Smith
R. (Rustam) Abubakirov
- R.Abubakirov@tudelft.nl
- 31.C1.120
P.L. Sijrier-Goettsch
M.C. (Marc) van den Berg
M.D. (Merla) Kubli
- +31 15 27 89350
- M.D.Kubli@tudelft.nl
- 31.B2.350