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