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Experimental Thermodynamics Volume X: Non-equilibrium Thermodynamics with ApplicationsCheck Access
Edited by
Dick Bedeaux;
Dick Bedeaux
Norwegian University of Science and Technology, Norway
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Signe Kjelstrup;
Signe Kjelstrup
Norwegian University of Science and Technology, Norway
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Jan Sengers
Jan Sengers
University of Maryland, USA
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Hardback ISBN:
978-1-78262-024-2
PDF ISBN:
978-1-78262-254-3
EPUB ISBN:
978-1-78262-736-4
Special Collection:
2015 ebook collection
,
ECCC Environmental eBooks 1968-2022
,
2011-2015 physical chemistry subject collection
No. of Pages:
432
Published online:
14 Oct 2015
Published in print:
16 Oct 2015
Book Chapter
Chapter 6: Non-equilibrium Molecular Dynamics Check Access
By
Fernando Bresme
;
Fernando Bresme
Department of Chemistry, Norwegian University of Science and Technology
7491 Trondheim
Norway
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Anders Lervik
;
Anders Lervik
Department of Chemistry, Norwegian University of Science and Technology
7491 Trondheim
Norway
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Jeff Armstrong
Jeff Armstrong
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-
Published:14 Oct 2015
-
Special Collection: 2015 ebook collection , ECCC Environmental eBooks 1968-2022 , 2011-2015 physical chemistry subject collection
Page range:
105 - 133
Citation
F. Bresme, A. Lervik, and J. Armstrong, in Experimental Thermodynamics Volume X: Non-equilibrium Thermodynamics with Applications, ed. D. Bedeaux, S. Kjelstrup, and J. Sengers, The Royal Society of Chemistry, 2015, ch. 6, pp. 105-133.
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This chapter discusses non-equilibrium molecular dynamics computer simulations. The focus is on the computation of coefficients that quantify transport properties (diffusion, thermal conductivity and viscosity) of simple and complex fluids as well as their interfaces. Several non-equilibrium methods are discussed, highlighting their connection to non-equilibrium thermodynamics. Coupling phenomena are also considered and applications to bulk fluids and interfaces are reviewed.
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