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85037319855
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note
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The radial distribution function at the closest approach distance, 2rnt with the hard sphere assumption, g(rmM) is given by30 g(rMM ) = [1/(1 - >)] + {[3>-/(l - >02](rrciI/-s)} + [2rV(l - >03(rred/rs)2] (Al), where rs is the radius of solvent and rrea = nn'/2, and y is the packing fraction, given in terms of the molar volume of solvent, Vs, by y = 4Nrs/3Vs (A2). By using the values of rs and rn listed in Table 2, together with the data of the solvent density,25"28 gfofM) was calculated by (Al).
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33
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-
85037315148
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-
note
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The value of asw is calculated by asw = 3000/M. (A3), where/M. is a microfriction factor, given by/\i-sw = (0.16 + 0.4rM./rs)(0.9 + 0.47V - 0.25rM.0 (A4). In eq A4, Tsr and TM-' are the reduced temperatures of solvent and solute, respectively, which can be calculated by the method described elsewhere.3-12'13 The values of/M.sw(full) and/M.sw(trunc) were evaluated by eq A4 and by neglecting the second parenthetical quantity in eq A4, respectively.3
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34
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0000553042
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36
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85037325946
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-
The values of van der Waals radius were evaluated to be 0.268 and 0.345 nm for benzene and benzophenone, respectively, by the method of Bondi.32
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The values of van der Waals radius were evaluated to be 0.268 and 0.345 nm for benzene and benzophenone, respectively, by the method of Bondi.32
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-
-
-
37
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0001003837
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Roberts, C. R.; Zhang, J.; Brennecke, J. B.; Chateauneuf, J. E. J. Phys. Chem. 1993, 97, 5618.
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Roberts, C.R.1
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