On the rheology of n-eicosane

Molecular Simulation

Volumn 17, Issue 3, 1996, Pages 157-164

  Travis, Karl P ^a   Evans, Denis J ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

Alkanes; Molecular dynamics; Shear; Thermostats

Indexed keywords

EID: 0000920578     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927029608024104     Document Type: Article

References (9)

1. D. J. Evans and G.P. Morris, Statistical Mechanics of Nonequilibrium Liquids, (Academic Press, London, 1990).
2. S. Nosé, "A unified formulation of the constant temperature molecular dynamics methods.", J. Chem. Phys., 81, 511 (1984).
3. W. G. Hoover, "Canonical dynamics: Equilibrium phase-space distributions.", Phys. Rev. A., 31, 1695 (1985).
4. D. J. Evans and S. Sarman, "Equivalence of thermostatted nonlinear responses", Phys. Rev. E., 48, 65 (1993).
5. K. P. Travis, P. J. Daivis and D. J. Evans, "Computer simulation algorithms for molecules undergoing planar Couette flow: A non-equilibrium molecular dynamics study.", J. Chem. Phys., 103, 1109 (1995).
6. K. P. Travis, P. J. Daivis and D. J. Evans, "Thermostats for molecular fluids undergoing shear flow: Application to liquid chlorine", J. Chem. Phys., 103, 10638 (1995).
7. G. P. Morriss, P. J. Daivis and D. J. Evans, "The rheology of n-alkanes: Decane and eicosane", J. Chem. Phys., 94, 7420 (1991).
8. R. Edberg, G. P. Morriss and D. J. Evans, "Rheology of n-alkanes by nonequilibrium molecular dynamics", J. Chem. Phys., 86, 4555 (1987).
9. P. J. Daivis and D. J. Evans, "Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane", J. Chem. Phys., 100, 541 (1994).