Molecular simulation of the surface tension of simple aqueous electrolytes and the Gibbs adsorption equation

Current Opinion in Colloid and Interface Science

Volumn 9, Issue 1-2, 2004, Pages 145-148

  Bhatt, Divesh ^a   Chee, Raymen ^a   Newman, John ^a   Radke, C J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Explicit water; Gibbs adsorption equation; Molecular dynamics; Positive salt adsorption; Surface tension maximum

Indexed keywords

ELECTROLYTE SOLUTIONS; GIBBS ADSORPTION; MOLECULAR SIMULATION;

ABSORPTION; COMPUTER SIMULATION; CONCENTRATION (PROCESS); MOLECULAR DYNAMICS; SALTS;

SURFACE TENSION;

ELECTROLYTE; SODIUM BROMIDE; SODIUM CHLORIDE; WATER;

ADSORPTION KINETICS; AQUEOUS SOLUTION; CONFERENCE PAPER; ELECTRIC POTENTIAL; ISOTHERM; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; SIMULATION; SURFACE TENSION;

EID: 4444251390     PISSN: 13590294     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cocis.2004.05.020     Document Type: Conference Paper

References (21)

1. Heydweiller A. Physical properties of salt solutions II Surface tension and electrical conductivity of aqueous solutions. Ann Phys. 33:1910;145-185
2. Onsager L., Samaras N.N. The surface tension of Debye-Hückel electrolytes. J Chem Phys. 2:1934;528-536
3. Collins K.D., Washbaugh M.W. The Hofmeister effect and the behaviour at at water interfaces. Q Rev Biophys. 18:(4):1985;323-422
4. Collins K.D. Sticky ions in biological systems. Proc Natl Acad Sci. 92:1995;5553-5557
5. Ninham B.W., Yaminsky V. Ion binding and ion specificity: the Hofmeister effect and Onsager and Lifshitz theories. Langmuir. 13:1997;2097-2108
6. Boström M., Williams D.R.M., Ninham B.W. Surface tension of electrolytes: specific ion effects explained by dispersion forces. Langmuir. 17:2001;4475-4478
7. Kunz W., Belloni L., Bernard O., Ninham B.W. Osmotic coefficients and surface tension of aqueous electrolyte solutions: role of dispersion forces. J Phys Chem B. 108:(7):2004;2398-2404
8. Karraker K.A., Radke C.J. Disjoining pressures, zeta potentials and surface tensions of aqueous non-ionic surfactant/electrolyte solutions: theory and comparison to experiment. Adv Coll Interface Sci. 96:(1-3):2002;231-264
9. Manciu M., Ruckenstein E. Specific ion effects via ion hydration: I. Surface tension. Adv Colloid Interface Sci. 105:2003;63-101
10. Jungwirth P., Tobias D.J. Molecular structure of salt solutions. A new view with implications for heterogeneous atmospheric chemistry. J Phys Chem B. 105:2001;10 468-10 471
11. Jungwirth P., Tobias D.J. Ions at the air/water interface. J Phys Chem B. 106:2002;6361-6373
12. Garrett B.C. Ions at the air/water interface. Science. 303:2004;1146-1147
13. Bhatt D., Newman J., Radke C.J. Molecular simulation of surface tensions of aqueous electrolyte solutions. J Phys Chem B. 26:2004;9077-9084
14. Berendsen H.J.C., Grigera J.R., Straatsma T.P. The missing term in effective pair potentials. J Phys Chem. 91:1987;6269-6271
15. Wheeler DR. Ph.D. Dissertation. University of California, Berkeley, 2002
16. Heinzinger K., Bopp P., Jancso G. Molecular-dynamics simulation of ionic hydration. Acta Chimica Hungarica. 121:1985;27-53
17. Frenkel D., Smit B. Understanding molecular simulations. 1991;Academic Press, San Diego. Chapter 6
18. de Leeuw S.W., Perram J.W., Smith E.R. Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants. Proc Roy Soc Lond Ser A. 373:1980;27-56
19. Karasawa N., Goddard W.A. Acceleration of convergence for lattice sums. J Phys Chem. 93:1989;7320-7327
20. Newman J.S. Electrochemical systems. 2nd ed :1991;Prentice Hall, Englewood Cliffs. Chapter 2
21. Washburn E.W. International critical tables of numerical data. Physics, chemistry, and technology. IV:1928;McGraw-Hill, New York