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CHAPTER 11

Computer Simulations

Computer Simulations, such as Classical Molecular Dynamics, are rapidly becoming a complementary tool to both theoretical and experimental investigations of transport properties of dense fluids. This chapter provides an overview of the state-of-the-art Molecular Dynamics and its application to calculating the transport properties of various fluids. It is emphasized that Molecular Dynamics has already led to noticeable improvement of the modelling of the transport properties of pure fluids and mixtures and is able to provide pseudo-experimental data in some specific cases.

Publication details

Print publication date
19 May 2014
Copyright year
2014
Print ISBN
978-1-84973-677-0
PDF eISBN
978-1-78262-525-4
ePub eISBN
978-1-78262-149-2