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Siepmann et al. (Ref. 15) recently pointed out that there is an error in the tail corrections for some of the thermodynamic properties computed in the original calculations of Siepmann and co-workers, (Ref. 13,14), which led to coexistence curves which differ from those reported. Two recent papers by
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Siepmann et al. (Ref. 15) recently pointed out that there is an error in the tail corrections for some of the thermodynamic properties computed in the original calculations of Siepmann and co-workers, (Ref. 13, 14), which led to coexistence curves which differ from those reported. Two recent papers by M. G. Martin and J. I. Siepmann, J. Phys. Chem. B102, 2569 (1998) and
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CH2 are roughly 10% and 2% smaller than in model A, respectively. While these differences have an effect on the liquid-gas phase diagram for small n, they are not large enough to make a significant change in the self-diffusion constant and viscosity
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CH2 are roughly 10% and 2% smaller than in model A, respectively. While these differences have an effect on the liquid-gas phase diagram for small n, they are not large enough to make a significant change in the self-diffusion constant and viscosity.
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22244446525
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note
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b=110°. In addition, Paul et al. used a slightly different form of bending potential. The differences between these values and our implementation (see Table I) are minor.
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0011180442
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0026208004
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The experimental diffusion data for n=16 and n=30 are from
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The experimental diffusion data for n=16 and n=30 are from T. Vardag, N. Kager, and H.-D. Lüdemann, Ber. Bunsenges. Phys. Chem. 95, 859 (1991), for n=24 from Mondello et al. (Ref. 12) and for n=44 from D. S. Pearson et al. (Ref. 9). All the data were obtained using PFG/NMR spectroscopy.
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0003649172
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API 42 American Petroleum Institute, Research Project 42, Washington, DC
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API 42, Properties of Hydrocarbons of High Molecular Weight (American Petroleum Institute, Research Project 42, Washington, DC, 1966).
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Properties of Hydrocarbons of High Molecular Weight
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