Erratum: Use of free energy simulations to predict infinite dilution activity coefficients (Fluid Phase Equilbria (2004) 221 (15) DOI: 10.1016/j.fluid.2004.04.008);Use of free energy simulations to predict infinite dilution activity coefficients

Fluid Phase Equilibria

Volumn 221, Issue 1-2, 2004, Pages 15-24

  Da Silva, Eirik F ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

Activity coefficient; Ethanolamine; Molecular Simulation; Vapour liquid equilibria

Indexed keywords

ACETONITRILE; COMPUTER SIMULATION; CONCENTRATION (PROCESS); ETHANOL; FREE ENERGY; MONTE CARLO METHODS; ORGANIC ACIDS; SOLUTIONS; THERMODYNAMICS;

DILUTION; PHASE BEHAVIOURS;

PHASE EQUILIBRIA;

ACETONITRILE; ETHANOLAMINE; METHANOL; WATER;

ETHANOLAMINE; THERMODYNAMICS; VAPOR-LIQUID EQUILIBRIUM;

ARTICLE; CALCULATION; CORRELATION COEFFICIENT; DILUTION; ENERGY; MONTE CARLO METHOD; RACEMIC MIXTURE; SIMULATION; THERMODYNAMICS;

EID: 3242688259     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2005.01.011     Document Type: Erratum

References (36)

1. Austgen D.M., Rochelle G.T. Ind. Eng. Chem. Res. 28:1989;1061
2. Fredenslund, J. Gmehling, P. Rasmussen, Vapour-Liquid Equilibrium Using UNIFAC, Elsevier, Amsterdam, 1977.
3. Guillot B. J. Mol. Liq. 101:2002;219
4. Sum A.K., Sandler S.I. Fluid Phase Equilib. 158-160:1999;375
5. C.J. Cramer, Essentials of Computational Chemistry, Wiley, New York, 2002.
6. J. Prausnitz, R. Lichtentaler, E. Gomes de Azevedo, Molecular Thermodynamics of Fluid-Phase Equilibria, third ed., Prentice-Hall, Englewood Cliffs, NJ, 1999.
7. Fischer J. Fluid Phase Equilib. 10:1983;1
8. Slusher J.T. J. Phys. Chem. B. 103:1999;6075
9. Rizzo R.C., Jorgensen W.L. J. Am. Chem. Soc. 121:1999;4827
10. Slusher J.T. Fluid Phase Equilib. 153:1998;45
11. Jorgensen W.L., Maxwell D.S., Tirado-Rives J. J. Am. Chem. Soc. 118:1996;11225
12. Jakalian A., Jack D.B., Bayly C.I. J. Comp. Chem. 23:2002;1623
13. Kollman P. Chem. Rev. 93:1993;2395
14. Versteeg G.F., van Dijck L.A.J., van Swaaij W.P.M. Chem. Eng. Commun. 144:1996;113
15. Lazaridis T., Paulaitis M.E. Am. Inst. Chem. Eng. J. 39:1993;1051
16. Hermans J., Pathiaseril A., Anderson A. J. Am. Chem. Soc. 110:1988;5982
17. Mezei M. J. Comp. Chem. 13:1992;651
18. Haile J.M. Fluid Phase Equilib. 26:1986;103
19. Jorgensen W.L., Ravimohan C. J. Chem. Phys. 83:1985;3050
20. Kofke D.A., Cummings P.T. Mol. Phys. 92:1997;973
21. Jorgensen W.L., Blake J.F., Buckner J.K. Chem. Phys. 129:1989;193
22. W.L. Jorgensen, BOSS, Version 4.3, Yale University, New Haven, CT, 1989a.
23. Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., Klein M.L. J. Chem. Phys. 79:1983;926
24. Jorgensen W.L. J. Phys Chem. 90:1986;1276
25. Jorgensen W.L., Briggs J.M. Mol. Phys. 63:1988;547
26. Briggs J.M., Nguyen T.B., Jorgensen W.L. J. Phys. Chem. 95:1991;3315
27. J.A. Riddick, W.B. Bunger, T.K. Sakano, Organic Solvents, vol. II, fourth ed., Wiley, New York, 1986, p. 360.
28. Nath A., Bender E. J. Chem. Eng. Data. 28:1983;370
29. DiGullio R.M., Lee R.-J., Schaeffer S.T., Brasher L.L., Teja A.S. J. Chem. Eng. Data. 37:1992;239
30. Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Halow I., Bailey S.M., Churney K.L., Nuttall R.L. J. Phys. Chem. Ref. Data. 2(Suppl.):1982;11
31. Park S.-B., Lee H. Korean J. Chem. Eng. 14:1997;146
32. Slusher J.T. Fluid Phase Equilib. 154:1999;181
33. Ben-Naim A., Marcus Y. J. Chem. Phys. 81:1984;2016
34. Kojima K., Zhang S.J., Hiaki T. Fluid Phase Equilib. 131:1997;145
35. J. Gmehling, U. Onken, W. Arlt, Vapour-Liquid Equilibrium Data Collection, DECHMA, Frankfurt, 1977 and onwards.
36. Crozier P.S., Rowley R.L. Fluid Phase Equilib. 193:2002;53