Print Email Facebook Twitter Transport Properties of Fluids Title Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations Author Jamali, S.H. (TU Delft Engineering Thermodynamics) Contributor Vlugt, T.J.H. (promotor) Moultos, O. (copromotor) Degree granting institution Delft University of Technology Date 2020-04-16 Abstract Knowledge on transport properties of fluids is of great interest for processand product design development in the chemical, food, pharmaceutical, andbiotechnological industry. In the past few decades, molecular simulation hasbecome a powerful tool to calculate these properties. In this context, MolecularDynamics (MD) is important for the calculation of transport properties ofcomplex systems, where currently available models are not valid, or at extremeconditions at which performing an experiment is dangerous or not feasible. MDsimulations provide detailed information about the dynamics of the system atthe molecular level. In this thesis, the aim is to investigate the computation oftransport properties using force field-based MD simulations. Subject molecular simulationmolecular dynamicstransport propertiesfinite-size effectsforce field To reference this document use: https://doi.org/10.4233/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ISBN 978-94-6366-256-7 Part of collection Institutional Repository Document type doctoral thesis Rights © 2020 S.H. Jamali Files PDF SeyedHosseinJamali_Disser ... tronic.pdf 7.9 MB Close viewer /islandora/object/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175/datastream/OBJ/view