We study the dependence of viscosity of ethanol on shear rate using constant volume and constant pressure nonequilibrium molecular dynamics simulations, with the emphasis of the interrelationship between breaking, stability, and alignment of hydrogen bonds and shear thinning at high shear rates. We find that although the majority of hydrogen bond breakings occur at low shear rates, we do not observe shear thinning until there is some shear-induced alignment of the hydrogen bonds with the direction of shear.
REFERENCES
1.
R. L.
Hurle
, A. J.
Easteal
, and L. A.
Woolf
, J. Chem. Soc., Faraday Trans. 1
81
, 769
(1985
).2.
N.
Karger
, T.
Vardag
, and H. D.
Lüdemann
, J. Chem. Phys.
93
, 3437
(1990
).3.
L.
Saiz
, J. A.
Padró
, and E.
Guàrdia
, J. Phys. Chem. B
101
, 78
(1997
).4.
L.
Saiz
, J. A.
Padró
, and E.
Guàrdia
, Mol. Phys.
97
, 897
(1999
).5.
M.
Matsumoto
and K. E.
Gubbins
, J. Chem. Phys.
93
, 1981
(1990
).6.
P.
Sindzingre
and M. L.
Klein
, J. Chem. Phys.
96
, 4683
(1992
).7.
S.
Balasubramanian
, C. J.
Mundy
, and M. L.
Klein
, J. Chem. Phys.
105
, 11190
(1996
).8.
D. R.
Wheeler
, N. G.
Fuller
, and R. L.
Rowley
, Mol. Phys.
92
, 55
(1997
).9.
W. L.
Jorgensen
, J. Phys. Chem.
90
, 1276
(1986
).10.
J.
Petravic
and J.
Delhommelle
, Chem. Phys.
286
, 303
(2003
).11.
C. J.
Benmore
and Y. L.
Yoh
, J. Chem. Phys.
112
, 5877
(2000
).12.
13.
D. J.
Evans
and G. P.
Morriss
, Statistical Mechanics of Nonequilibrium Liquids
(Academic
, San Diego, 1990
).14.
P. J.
Daivis
and D. J.
Evans
, J. Chem. Phys.
100
, 541
(1993
).15.
R. A.
Edberg
, D. J.
Evans
, and G. P.
Morriss
, J. Chem. Phys.
84
, 6933
(1986
).16.
M. P.
Allen
and D. J.
Tildesley
, Computer Simulation of Liquids
(Clarendon
, Oxford, 1987
).17.
18.
N. B.
Vargaftik
, Handbook of Physical Properties of Liquids and Gases: Pure Substances and Mixtures
, 2nd ed. (Springer Verlag
, 1983
).19.
T. F.
Sun
, C. A.
Ten-Seldam
, P. J.
Kortbeek
, N. J.
Trappeniers
, and S. N.
Biswas
, Phys. Chem. Liq.
18
, 107
(1988
).20.
B. D.
Butler
, G.
Ayton
, O. G.
Jepps
, and D. J.
Evans
, J. Chem. Phys.
109
, 6519
(1998
).21.
E.
Guàrdia
, G.
Sese
, and J. A.
Padró
, J. Mol. Liq.
62
, 1
(1994
).© 2005 American Institute of Physics.
2005
American Institute of Physics
You do not currently have access to this content.
