Osmotic Second Virial Coefficients of Aqueous Solutions from Two-Component Equations of State.

作者: Claudio A. Cerdeiriña , B. Widom

DOI: 10.1021/ACS.JPCB.6B09912

关键词: SolubilityPitzer equationsChemistryCompressibilityVapor pressureVirial coefficientThermodynamicsvan der Waals forceVirial theoremAqueous solution

摘要: Osmotic second virial coefficients in dilute aqueous solutions of small nonpolar solutes are calculated from three different two-component equations state. The five noble gases, four diatomics, and six hydrocarbons the range C1–C4. state modified versions van der Waals, Redlich–Kwong, Peng–Robinson equations, with an added hydrogen-bonding term for solvent water. parameters resulting assigned so as to reproduce experimental values temperature dependence density, vapor pressure, compressibility solvent, gas-phase coefficient pure solute, solubility partial molecular volume earlier estimates solutes’ radii. For all 15 solutes, calculations done 298.15 K, whereas CH4, C2H6, C3H8 particular, they also functions over full 278.15–348.15 K. osmotic coe...

参考文章(28)
Mangesh I. Chaudhari, Susan B. Rempe, D. Asthagiri, L. Tan, L. R. Pratt, Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions Journal of Physical Chemistry B. ,vol. 120, pp. 1864- 1870 ,(2016) , 10.1021/ACS.JPCB.5B09552
Tongliang Zhou, Rubin Battino, Partial Molar Volumes of 13 Gases in Water at 298.15 K and 303.15 K Journal of Chemical & Engineering Data. ,vol. 46, pp. 331- 332 ,(2001) , 10.1021/JE000215O
B. Widom, Robin C. Underwood, Second osmotic virial coefficient from the two-component van der Waals equation of state. Journal of Physical Chemistry B. ,vol. 116, pp. 9492- 9499 ,(2012) , 10.1021/JP3051802
Hongqin Liu, Eli Ruckenstein, Aggregation of Hydrocarbons in Dilute Aqueous Solutions Journal of Physical Chemistry B. ,vol. 102, pp. 1005- 1012 ,(1998) , 10.1021/JP972793Q
William G. McMillan, Joseph E. Mayer, The Statistical Thermodynamics of Multicomponent Systems The Journal of Chemical Physics. ,vol. 13, pp. 276- 305 ,(1945) , 10.1063/1.1724036
Constantine Tsonopoulos, An empirical correlation of second virial coefficients Aiche Journal. ,vol. 20, pp. 263- 272 ,(1974) , 10.1002/AIC.690200209
Joseph C. Moore, Rubin Battino, Timothy R. Rettich, Y. Paul Handa, Emmerich Wilhelm, Partial molar volumbes of gases at infinite dilution in water at 298.15 K Journal of Chemical & Engineering Data. ,vol. 27, pp. 22- 24 ,(1982) , 10.1021/JE00027A005
Riki Kobayashi, Donald Katz, Vapor-Liquid Equilibria For Binary Hydrocarbon-Water Systems Correlation of Data Industrial & Engineering Chemistry. ,vol. 45, pp. 446- 451 ,(1953) , 10.1021/IE50518A052
Peter H. Poole, Francesco Sciortino, Tor Grande, H. Eugene Stanley, C. Austen Angell, Effect of hydrogen bonds on the thermodynamic behavior of liquid water. Physical Review Letters. ,vol. 73, pp. 1632- 1635 ,(1994) , 10.1103/PHYSREVLETT.73.1632
A. Ben‐Naim, Inversion of the Kirkwood–Buff theory of solutions: Application to the water–ethanol system The Journal of Chemical Physics. ,vol. 67, pp. 4884- 4890 ,(1977) , 10.1063/1.434669