Structure and thermodynamics of supercooled aqueous solutions: Ionic solutes compared with water in a hydrophobic environment

Journal of Molecular Liquids

Volumn 159, Issue 1, 2011, Pages 18-23

  Corradini, D ^a   Gallo, P ^a   Rovere, M ^a  

^a ROMA TRE UNIVERSITY   (Italy)

Author keywords

Aqueous ionic solutions; Hydrophobic and hydrophilic interactions; Radial distribution functions; Temperature of maximum density

Indexed keywords

AQUEOUS IONIC SOLUTIONS; AQUEOUS SOLUTIONS; HYDROPHILIC AND HYDROPHOBIC INTERACTIONS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; HYDROPHOBIC ENVIRONMENT; HYDROPHOBIC SYSTEMS; IONIC SOLUTES; IONIC SOLUTIONS; MAXIMUM DENSITY; RADIAL DISTRIBUTION FUNCTIONS; STRUCTURAL MODIFICATIONS; SUPERCOOLED REGIONS; TEMPERATURE OF MAXIMUM DENSITY;

DISTRIBUTION FUNCTIONS; HYDROPHILICITY; IONS; MOLECULAR DYNAMICS; PHASE DIAGRAMS; SODIUM CHLORIDE; SOLUTIONS; SUPERCOOLING; TEMPERATURE; THERMODYNAMICS;

HYDROPHOBICITY;

EID: 79952005357     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molliq.2010.03.017     Document Type: Conference Paper

References (34)

1. F. Franks Water, a Matrix for Life 2000 Royal Society of Chemistry Cambridge (UK)
2. C.A. Angell Annu. Rev. Phys. Chem. 34 1983 593
3. P.G. Debenedetti J. Phys. Condens. Matter 15 2003 R1669
4. P.G. Debenedetti, and H.E. Stanley Physics Today 56 2003 40
5. P.H. Poole, F. Sciortino, U. Essmann, and H.E. Stanley Nature (London) 360 1992 324
6. L. Xu, P. Kumar, S.V. Buldyrev, S.-H. Chen, P.H. Poole, F. Sciortino, and H.E. Stanley Proc. Natl. Acad. Sci. U. S. A. 102 2005 16558
7. P.G. Debenedetti Metastable Liquids: Concepts and Principles 1996 Princeton University Press Princeton (USA)
8. D.G. Archer, and R.W. Carter J. Phys. Chem. B 104 2000 8563
9. S. Koneshan, and J.C. Rasaiah J. Chem. Phys. 113 2000 8125
10. H. Du, J.C. Rasaiah, and J.D. Miller J. Phys. Chem. 111 2007 209
11. S. Chowdhuri, and A. Chandra J. Chem. Phys. 115 2001 3732
12. S. Chowdhuri, and A. Chandra J. Chem. Phys. 118 2003 9719
13. P.J. Lenart, A. Jusufi, and A.Z. Panagiotopoulos J. Chem. Phys. 126 2007 044509
14. M. Patra, and M. Karttunen J. Comput. Chem. 25 2004 678
15. B. Hribar, N.T. Southall, V. Vlachy, and K.A. Dill J. Am. Chem. Soc. 124 2002 12302
16. A. Botti, F. Bruni, S. Imberti, M.A. Ricci, and A.K. Soper J. Chem. Phys. 120 2004 10154
17. F. Bruni, M.A. Ricci, and A.K. Soper J. Chem. Phys. 114 2001 8056
18. R. Mancinelli, A. Botti, F. Bruni, M.A. Ricci, and A.K. Soper Phys. Chem. Chem. Phys. 9 2007 2959
19. I.S. Joung, and T.E. Cheatham III J. Phys. Chem. B 112 2008 9020
20. P. Auffinger, T.E. Cheatham III, and A.C. Vaiana J. Chem. Theory Comput. 3 2007 1851
21. J. Alejandre, and J.-P. Hansen Phys. Rev. E 76 2007 061505
22. R.J. Speedy, P.G. Debenedetti, S.R. Smith, C. Huang, and B.D. Kay J. Chem. Phys. 105 1996 240
23. R.M. Lynden-Bell, J.C. Rasaiah, and J.P. Noworyta Pure Appl. Chem. 73 2001 1721
24. P. Gallo, and M. Rovere Phys. Rev. E 76 2006 061202
25. D. Corradini, P. Gallo, and M. Rovere J. Chem. Phys. 128 2008 244508
26. D. Corradini, P. Gallo, and M. Rovere J. Chem. Phys. 130 2009 154511
27. D. Corradini, P. Gallo, and M. Rovere J. Phys. Conf. Ser. 177 012003 2009 1
28. D. Corradini, P. Gallo, M. Rovere, J. Phys. Cond. Matt. accepted for publication (2010).
29. W. Smith, T.R. Forester, and I.T. Todorov The DL-POLY-2.0 User Manual 2006 Daresbury Laboratory Daresbury (UK)
30. W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impeya, and M.L. Klein J. Chem. Phys. 79 1983 926
31. B.M. Pettitt, and P.J. Rossky J. Chem. Phys. 84 1986 5836
32. M.P. Allen, and D.J. Tildesley Computer Simulation of Liquids 1989 Oxford Science Publication Oxfors (UK)
33. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, and J.R. Haak J. Chem. Phys. 81 1984 3684
34. D. Corradini, M. Rovere, P. Gallo, J. Chem. Phys. 132 (2010) 134508.