Fluid Phase Equilibria, 2004, V 217, N 1, 10 March.
1.
The first industrial fluid properties simulation challenge*1,
Fiona Case , Anne Chaka , Daniel G. Friend , David Frurip ,
Joseph Golab , Russell Johnson , Jonathan Moore ,
Raymond D. Mountain , James Olson , Martin Schiller and Joey Storer
Pages 1-10
2.
Establishing benchmarks for the first industrial fluids
simulation challenge*1,
Daniel G. Friend , David J. Frurip , Joseph W. Magee
and James D. Olson
Pages 11-15
3.
Fluid properties simulation challenge Recommendation
for problem I(a): vapor-liquid equilibria for dimethyl
ether(1) + propylene(2),
Pages 17-19
4.
Fluid properties simulation challenge Recommendation
for problem I(b): vapor-liquid equilibria for nitroethane(1)
+ propylene glycol monomethyl ether(2),
Pages 21-23
5.
Fluid properties simulation challenge Recommendations
for prolem II(a): water density,
Pages 25-26
6.
Fluid properties simulation challenge Recommendations
for problem II(b): cyclohexane density,
Pages 27-29
7.
Fluid properties simulation challenge: recommendations
for problem II(c): 2-propanol density,
Pages 31-32
8.
Fluid properties simulation challenge: Recommendations
for problem II(d): diethanol amine density,
Pages 33-34
9.
Fluid properties simulation challenge: Recommendations
for problem II(e): 1,2,3-trichloropropane density,
Pages 35-36
10.
Fluid properties simulation challenge: Recommendations
for problem II(f): triethylene glycol density,
Pages 37-38
11.
Fluid properties simulation challenge Recommendations
for problem II(g): pyridine density,
Pages 39-40
12.
Fluid properties simultion challenge Recommendations
for problem II(h): aqueous choline chloride density,
Pages 41-44
13.
Fluid properties simulation challenge Recommendations
for problem II(i): methanol (0.50 mass fraction) + wate
r density (0.50 mass fraction),
Pages 45-48
14.
Fluid properties simulation challenge Recommendations
for problem III: viscosity of 2-propanol, n-nonane,
and their mixtures,
Pages 49-51
15.
Prediction of vapor liquid equilibria using COSMOtherm,
Andreas Klamt and Frank Eckert
Pages 53-57
16.
Prediction of fluid densities using automatically derived
VDW parameters,
H. Sun
Pages 59-76
17.
Fluid density predictions using the COMPASS force field,
David Rigby
Pages 77-87
18.
Osmotic molecular dynamics simulation of vapor–liquid
equilibria for propylene + dimethyl ether and nitroethane + propylene
glycol monomethyl ether mixtures,
Tim R. Pollock , Paul Crozier and Richard L. Rowley
Pages 89-95
19.
Density, local composition and diffusivity of aqueous choline
chloride solutions: a molecular dynamics study,
Timothy I. Morrow and Edward J. Maginn
Pages 97-104
20.
Industrial property prediction using Towhee and LAMMPS,
Marcus G. Martin and Aidan P. Thompson
Pages 105-110
21.
AUA model NEMD and EMD simulations of the shear viscosity
of alkane and alcohol systems,
Haizhong Zhang and James F. Ely
Pages 111-118
22.
contents continued,
Page 119
23.
Calendar,
Page 121
24.
Special Issue,
Page v