Supporting Information

Transcription

1 Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2016 Reanalysis of the Much Referenced Ethanol-trichloromethane Mixture Vapor Pressure Data: A Discussion of the Principal Association Species Present Stanley L. Manatt*

2 Table of Contents Page 2 Table S1. Comparison of SR s experimental mixture VP data with the MF s Points fitted at K. Pressures in mm Hg; ethanol MF. 3 Table S2. Comparison of SR s experimental mixture VP data with the MF s Points fitted at K. Pressures in mm Hg; ethanol MF. 4 Table S3. Comparison of SR s experimental mixture VP data with the MF s Points fitted at K. Pressures in mm Hg; ethanol MF. 5 Table S4. Three sets of fittings used to estimate temperatures to be used in final fittings to SR experimental data. See text for identification of parameters used in numbered fitting. All pressures in mm Hg. 6 Table S5. An exhibit of the discrepancies between g E X s calculated in Raymonds thesis and the values given in the published SR paper. 7 Table S6. Activity coefficients of 2 as a function of 2 MF and temperature. 7 Table S7. Activity coefficients of 1 as a Function of 1 MF and temperature. 8 Figure S1. A copy of a weathered photostat of part of page 23 of Raymond s thesis [7] with hand written changes (circled in red) to the VP s at 55 o C. 1

3 Table S1. Comparison of SR s experimental mixture VP data with the MF s Points fitted at K. Pressures in mm Hg; ethanol MF. MF P (thesis and paper) MF(off plot) P (off plot) ΔMF ΔP First three data points were not plotted Not plotted Not plotted SSD [a] [a] Sum of the squares of the pressure errors.. 2

4 Table S2. Comparison of SR s experimental mixture VP data with the MF s Points fitted at K. Pressures in mm Hg; ethanol MF. MF P (thesis and paper) MF(off plot) P (off plot) ΔMF ΔP Not plotted SSD [a] [a] Sum of the squares of the pressure errors. 3

5 Table S3. Comparison of SR s experimental mixture VP data with the MF s Points fitted at K. Pressures in mm Hg; ethanol MF. MF P (thesis and paper) MF(off plot) P (off plot) ΔMF ΔP SSD [a] [a] Sum of the squares of the pressure errors. 4

6 Table S4. Three sets of fittings used to estimate temperatures to be used in final fittings to SR experimental data. See text for identification of parameters used in numbered fitting. All pressures in mm Hg. SSD is sum of squares of pressure errors. T = K 1 P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = -1090, β 2 = -1470, β 12 = -1930; MV 1 = 61.4, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = -1090, β 2 = -1470, β 12 = -1930; MV 1 = 61.4, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = -1090, β 2 = -1470, β 12 = -1930; MV 1 = 61.4, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 59.53, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 59.53, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 59.53, MV 2 = T = K 1 P 1 = mm ( K), P 2 = mm ( K) SSD = P 1 = mm ( K), P 2 = mm ( K) SSD = P 1 = mm ( K), P 2 = mm ( K) SSD = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 60.34, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 60.34, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 59.53, MV 2 = T = K 1 P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = -865, β 2 = -1150, β 12 = -1170; MV 1 = 62.8, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = P 1 = mm ( K), P 2 = mm ( K) SSD = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 61.18, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 61.18, MV 2 = P 1 = mm ( K), P 2 = mm ( K) SSD = β 1 = , β 2 = , β 12 = ; MV 1 = 61.18, MV 2 =

7 Table S5. An exhibit of the discrepancies between g X E s calculated in Raymonds thesis and the values given in the published SR paper. The discrepancies are shown in bold. Recalculations in the present work arrived at the same values as in Raymond s thesis. Units of joules per mole. 35 o C 45 o C 55 o C MF 1 Paper Thesis Paper Thesis Paper Thesis Number of Discrepancies

8 Table S6. Activity coefficients of 2 as a function of 2 MF. Temperatures Degrees K MF Table S7. Activity Coefficients of 1 as a Function of 1 MF. Temperatures Degrees K MF

9 Figure S1. A copy of a weathered photostat of part of page 23 of Raymond s thesis [7] with hand written changes (circled in red) to the VP s at 55 o C. 8