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Chapter 5

Diffusion in Liquids: Experiments, Molecular Dynamics, and Engineering Models

Diffusion in liquids is an old but still important field of research, since a sound understanding and predictive models are lacking. In this chapter, established and novel techniques to obtain concentration-dependent multicomponent diffusion coefficients are presented: (1) Experimental methods: we present established measurement methods but also recently developed techniques which allow for substantial reductions of measurement time and effort. (2) Molecular Dynamics simulations: we present methods for the successful and efficient determination of diffusion coefficients as well as the thermodynamic factor from equilibrium Molecular Dynamics simulations, which allow for prediction of diffusion based on force-field models. (3) Engineering models: established as well as improved, recently developed engineering models for the simple determination of multicomponent diffusion coefficients are described.

Print publication date: 16 Oct 2015
Copyright year: 2016
Print ISBN: 978-1-78262-024-2
PDF eISBN: 978-1-78262-254-3
ePub eISBN: 978-1-78262-736-4