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MOLECULAR SIMULATION STUDIES IN THE SUPERCRITICAL REGION

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MOLECULAR SIMULATION STUDIES IN THE SUPERCRITICAL REGION ( molecular-simulation-studies-insupercritical-region )

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Dioxide: A Monte Carlo Simulation Study. J. Phys. Chem. B 109:19885- 19892. Tiltscher, H., and H. Hofmann. 1987. Trends in High-Pressure Chemical-Reaction Engineering. Chemical Engineering Science 42:959-977. Trappeniers, N. J., and P. H. Oosting. 1966. Selfdiffusion in gaseous and liquid methane. Physics Letters 23:445-447. Trautz, M. A. 1918. Z. Anorg. Chem 102:81. Tsekhans, Y. V. 1971. Diffusion of Naphthalene in Carbon Dioxide Near Liquid-Gas Critical Point. Russian Journal of Physical Chemistry,Ussr 45:744-&. Tucker, S. C. 1999. Solvent Density Inhomogeneities in Supercritical Fluids. Chem. Rev. 99:391-418. Tucker, S. C., and M. W. Maddox. 1998. The Effect of Solvent Density Inhomogeneities on Solute Dynamics in Supercritical Fluids: A Theoretical Perspective. J. Phys. Chem. B 102:2437-2453. Tucker, S. C., and D. G. Truhlar. 1990. Effect of Nonequilibrium Solvation on Chemical-Reaction Rates - Variational Transition-State-Theory Studies of the Microsolvated Reaction Cl-(H2O)N + Ch3Cl. J. Am. Chem. Soc. 112:3347- 3361. Ulrich Franck, E. 1987. Fluids at high pressures and temperatures. The Journal of Chemical Thermodynamics 19:225-242. Van P.Carey. 1999. Statistical Thermodynamics and Microscale Thermophysics. Cambridge University Press, New York Vaneldik, R., T. Asano, and W. J. Lenoble. 1989. Activation and Reaction Volumes in Solution .2. Chem. Rev. 89:549-688. Vaneldik, R., and F. G. Klärner. 2002. High Pressure Chemistry. Wiley-Vch. Viana, C. A. N., and J. C. R. Reis. 1996. Pressure dependence of rate and equilibrium constants in solution. A guide to analytical equations. Pure and Applied Chemistry 68:1541-1551. Virnau, P., M. Muller, L. G. MacDowell, and K. Binder. 2004. Phase behavior of n-alkanes in supercritical solution: A Monte Carlo study. Journal of Chemical Physics 121:2169-2179. Voth, G. A., and R. M. Hochstrasser. 1996. Transition state dynamics and relaxation processes in solutions: A Frontier of physical chemistry. J. Phys. Chem. 100:13034-13049. Zhang, J., X. Zhang, B. Han, J. He, Z. Liu, and G. Yang. 2002a. Study on intermolecular interactions in supercritical fluids by partial molar volume and isothermal compressibility. The Journal of Supercritical Fluids 22:15-19. 158

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