Molecular Theory of Solutions
Jens , Smiatek
Molecular Theory of Solutions
Jens , Smiatek
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Omschrijving
Molecular Theory of Solutions: General Concepts for Structure and Dynamics presents basic concepts from modern molecular theories of solutions in order to rationalize underlying structural and dynamic effects. Sections cover the properties of solutions and solvation mechanisms, basic concepts from thermodynamics, statistical mechanics and molecular theories of solutions, alongside important experimental observations. The book then discusses basic principles of hydrodynamics and transport theory, with the corresponding outcomes used to highlight various concepts for the theoretical study of effective charge transport, electrokinetic flows and hydrodynamic interactions. The influence of external electric fields in terms of electrokinetic transport, as well as ion correlations are also highlighted.
Other sections of note cover methods and models for particle-based computer simulation approaches at various length and time scales, providing insights into how molecular theories of solutions and simulations can be combined to produce more accurate theories and a more reliable description of solution effects.
Jens Smiatek received his Ph. D. in theoretical physics at Bielefeld University in 2009. After several postdoc and group leader positions at the University of Muenster, the University of Stuttgart and the Forschungszentrum Juelich, he received his habilitation in theoretical physics at the University of Stuttgart. Currently, he is working at Boehringer Ingelheim Pharma GmbH & Co. KG, Development Biologicals CMC, where he applies and develops numerical and theoretical methods for the design of novel biopharmaceutical formulations and the analysis of big data. His main research interests focus on the theoretical and computational study of polyelectrolytes, ions or DNA in solution and the complex interactions between the components of liquid mixtures in terms of structural and dynamic correlations. He has published over 60 research articles in scientific journals as well as a number of reviews on topics including aqueous ionic liquids, aprotic electrolyte solutions, free energy calculation methods as well as protein stabilization effects.