Thermohydrodynamics for a van der Waals fluid

Authors
Citation
P. Espanol, Thermohydrodynamics for a van der Waals fluid, J CHEM PHYS, 115(12), 2001, pp. 5392-5403
Citations number
44
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
12
Year of publication
2001
Pages
5392 - 5403
Database
ISI
SICI code
0021-9606(20010922)115:12<5392:TFAVDW>2.0.ZU;2-A
Abstract
Following a cell method of van Kampen for the calculation of a coarse-grain ed free-energy functional for the van der Waals gas, we compute a correspon ding entropy functional from microscopic principles. This entropy functiona l is one of the building blocks of the recently developed GENERIC framework [H. C. Ottinger and M. Grmela, Phys. Rev. E 56, 6633 (1997)]. This framewo rk allows us to obtain, in a thermodynamically consistent way, the continuu m hydrodynamic equations for a fluid able to display liquid-vapor coexisten ce. Surface tension appears naturally and the resulting model describes int erfaces as diffuse regions, much in the same spirit as the gradient theory for equilibrium situations. We suggest that using interfacial forces in the integral form obtained in the microscopic derivation instead of third orde r derivatives of the density field might represent an advantage from a comp utational point of view. (C) 2001 American Institute of Physics.