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Computer Experiments on Heterogeneous Systems

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Aerosol Microphysics II

Part of the book series: Topics in Current Physics ((TCPHY,volume 29))

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Abstract

Since the advent of high-speed digital computers, computer simulation studies have contributed a great deal to the understanding of condensed matter. They have provided essential information not otherwise obtainable by present experimental techniques and have helped advance our theoretical understanding of the structure and dynamics of condensed matter [4.1]. In spite of these advances, it is only recently that these techniques have been used to probe heterogeneous systems containing interfaces between different phases. One difficulty has been the relatively small number of particles in an interface that contribute to the thermodynamic properties of relevance. Often these contributions are masked by the so-called bulk properties, arising from particles that are not in the interface. In recent years, many attempts have been made to develop techniques that overcome this difficulty and allow one to study equilibrium and nonequilibrium properties of interfaces.

Previously known as M. RAO

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References

  1. B.J. Berne, D. Forster: Am. Rev. Phys. Chem. 22,563 (1971)

    Article  CAS  Google Scholar 

  2. W.W. Wood: Acta Phys. Austiaca, Suppl. X, 451 (1973)

    Google Scholar 

  3. B.J. Berne, J. Kushick: In Statistical Mechanics, Part B: Time-Dependent Processes, ed. by B.J. Berne (Plenum, New York 1978)

    Google Scholar 

  4. N. Metropolis, A.W. Metropolis, M.N. Rosenbluth, E. Teller: J. Chem. Phys. 21, 1087 (1953)

    Article  CAS  Google Scholar 

  5. J.P. Valleau, S.G. Whittington: in Statistical Mechanics,Part A: Equilibrium Techniques, ed. by B.J. Berne (Plenum, New York 1977)

    Google Scholar 

  6. D. Ceperly, J. Tully (ed.), Stochastic Molecular Dynamics. Proceedings of Workshop held at Woods Hole, Mass., July 1979. NRCC Proceedings No. 6 and References cited therein.

    Google Scholar 

  7. S.A. Adelman, J.D. Doll: J. Chem. Phys. 64,2375 (1976)

    Article  CAS  Google Scholar 

  8. D. Chandler: J. Chem. Phys. 68,2959 (1978)

    Article  CAS  Google Scholar 

  9. J.A. Montgomery, D. Chandler, B.J. Berne: J. Chem. Phys. 70, 4056 (1978)

    Article  Google Scholar 

  10. E. Helfland, Z.R. Wasserman, T.A. Weber: J. Chem. Phys. 70,2016 (1979)

    Article  Google Scholar 

  11. F. Lanteline, P. Turque, H.L. Friedman: In C.E.C.A.M. Workshop on Ionic Liquids, Orsay, France (1974)

    Google Scholar 

  12. J.P. Hansen, I. MacDonald: Theory of Simple Liquids (Academic, New York 1975) [this book contains a detailed discussion of the work by Verlet and co-workers including reference citations]

    Google Scholar 

  13. D. Forster: Hydrodyncnnic Fluctuations, Broken Symmetries and Correlation functions (Benjamin, New York 1975)

    Google Scholar 

  14. A. Rahman, F.H. Stillinger: J. Chem. Phys. 55, 3336 (1971)

    Article  CAS  Google Scholar 

  15. F.H. Stillinger, A. Rahman: J. Chem. Phys. 57, 1281 (1972)

    Article  CAS  Google Scholar 

  16. A. Rahman, F.H. Stillinger: J. Chem. Phys. 60, 7943 (1974)

    Google Scholar 

  17. F.H. Stillinger, A. Rahman: J. Chem. Phys. 61, 4973 (1974)

    Article  CAS  Google Scholar 

  18. P. Schofield: Comput. Phys. Comm. 5, 17 (1973)

    Article  CAS  Google Scholar 

  19. B.J. Berne: in Statistical Mechanics, Part B: Time-Dependent Processes, ed. by B.J. Berne (Plenum, New York 1978) p. 233

    Google Scholar 

  20. J. Tully: J. Chem. Phys. 73, 1975 (1980) [and references therein]

    Google Scholar 

  21. C. Pangali, M. Rao, B.J. Berne: Chem. Phys. Lett. 55, 413 (1978)

    Article  CAS  Google Scholar 

  22. M. Rao, C. Pangali, B.J. Berne: Mol. Phys. 37, 1773 (1979)

    Article  CAS  Google Scholar 

  23. J.C. Owicki, H.A. Scheraga: J. Am. Chem. Soc. 99, 7403, 7413 (1977)

    Article  CAS  Google Scholar 

  24. J.P. Valleau, G.M. Torrie: in Statistical Mechanics, Part A: Equilibrium Techniques, ed. by B.J. Berne (Plenum, New York 1977) p. 169

    Google Scholar 

  25. P. Rossky, J.D. Doll, H.L. Friedman: J. Chem. Phys. 69, 4628 (1978)

    Article  CAS  Google Scholar 

  26. J.K. Percus: “Non-Uniform Fluids”, in Equilibrium Theory of Liquids

    Google Scholar 

  27. J.K. Lee, J.A. Barker, G.M. Pound: J. Chem. Phys. 60, 1976 (1974)

    Article  CAS  Google Scholar 

  28. K.S. Liu: J. Chem. Phys. 60, (1976)

    Google Scholar 

  29. M. Rao, D. Levesque: J. Chem. Phys. 65, 3233 (1976)

    Article  CAS  Google Scholar 

  30. C.A. Croxton, R.P. Ferrier: Phys. Lett. A 35, 330 (1971)

    Article  CAS  Google Scholar 

  31. F.H. Abraham, J.K. Lee, J.A. Barker: J. Chem. Phys. 60, 266 (1974)

    Article  Google Scholar 

  32. M. Rao, B.J. Berne, J.K. Percus, M.H. Kalos: J. Chem. Phys. 71, 3802 (1979)

    Article  CAS  Google Scholar 

  33. G.M. Nazarian: J. Chem. Phys. 56, 1408 (1972)

    Article  CAS  Google Scholar 

  34. S. Toxeraera: J. Chem. Phys. 55, 3116 (1971)

    Article  Google Scholar 

  35. D.G. Sullivan, G. Stell: J. Chem. Phys. 67, 2567 (1977)

    Article  CAS  Google Scholar 

  36. S. Toxeraera: J. Chem. Phys. 64, 2863 (1976)

    Article  Google Scholar 

  37. F.F. Abraham: J. Chem. Phys. 68, 3713 (1978)

    Article  CAS  Google Scholar 

  38. N.T. Davis: J. Chem. Phys. 67, 3636 (1977)

    Article  CAS  Google Scholar 

  39. N.T. Davis: J. Chem. Phys. 70, 600 (1979)

    Article  Google Scholar 

  40. M.S. Wertherm: J. Chem. Phys. 65, 2377 (1977)

    Article  Google Scholar 

  41. M.H. Kalos, J. Percus, M. Rao: J. Stat. Phys. 17, 111 (1977)

    Article  Google Scholar 

  42. F.P. Buff: J. Chem. Phys. 23, 419 (1955)

    Article  CAS  Google Scholar 

  43. S. Ono, S. Kondo: in Structure in Liquids, Handbuch der Physik, Vol. 10, ed. by S. Flugge (Springer, Berlin, Heidelberg, New York 1960)

    Google Scholar 

  44. M. Rao, B.J. Berne: Mol. Phys. 37, 456 (1979)

    Google Scholar 

  45. J.G. Kirkwood, F.P. Buff: J. Chem. Phys. 17, 338 (1949)

    Article  CAS  Google Scholar 

  46. R.H. Fowler: Proc. R. Soc. A London 59, 229 (1937)

    Google Scholar 

  47. G.A. Chapella, G. Saville, J.S. Rowlinson: Disc. Faraday Soc. 59, 22 (1975)

    Article  Google Scholar 

  48. J. Miyazaki, J.A. Barker, G.M. Pound: J. Chem. Phys. 76, 3364 (1976)

    Article  Google Scholar 

  49. R.C. Tolman: J. Chem. Phys. 17, 333 (1949)

    Article  CAS  Google Scholar 

  50. F.F. Abraham: Homogeneous Nucleation Theory (Academic, New York 1974)

    Google Scholar 

  51. J.J. Barton: in Statistical Mechanics, Part A: Equilibrium Techniques, ed. by B.J. Berne (Plenum, New York 1977) p. 195

    Google Scholar 

  52. M. Rao, B.J. Berne, M. Kalos: J. Chem. Phys. 68, 1325 (1978)

    Article  CAS  Google Scholar 

  53. W. Vogelsberger: Private Communication 1978

    Google Scholar 

  54. F.F. Abraham, J.K. Lee, J.A. Barker: J. Chem. Phys. 60, 266 (1974)

    Article  Google Scholar 

  55. K. Binder, M. Kalos: J. Stat. Phys. 22, 363 (1980) [and the rather complete list of references cited therein]

    Article  Google Scholar 

  56. K. Kawasaki: in Phase Transitions and Critical Phenomena, Vol. 3, ed. by C. Domb, M.S. Green (Academic, New York 1972)

    Google Scholar 

  57. W.H. Zurek, W.C. Schieve: Comput. Phys. Commun. 13, 75 (1977)

    Article  CAS  Google Scholar 

  58. W.H. Zurek, W.C. Schieve: Phys. Lett. 67A, 42 (1978)

    CAS  Google Scholar 

  59. W.H. Zurek, W.C. Schieve: J. Chem. Phys. 68, 840 (1978)

    Article  CAS  Google Scholar 

  60. W.H. Zurek, W.C. Schieve: Rarified Gas Dyn. Proc. Int. Symp. 11, Pt. 2, 1219 (1979)

    Google Scholar 

  61. J.W. Brady, J.D. Doll, D.L. Thompson: J. Chem. Phys. 74, 1026 (1981)

    Article  CAS  Google Scholar 

  62. V.V. Nauchitel, A.J. Pertsin: Mol. Phys. 40, 1341 (1980)

    Article  CAS  Google Scholar 

  63. Mariana Weissman, N.V. Cohan: J. Chem. Phys. 72, 4562 (1980)

    Article  Google Scholar 

  64. E. Clementi, G. Coronsiu, B. Joensson, S. Romano: J. Chem. Phys. 72, 260 (1980)

    Article  CAS  Google Scholar 

  65. M.R. Hoare: Adv. Chem. Phys. 40, 49 (1979)

    Article  CAS  Google Scholar 

  66. J.S. Turner: Astrophys. Space Sci. 65, 383 (1979)

    Article  CAS  Google Scholar 

  67. J.Q. Broughton, A. Bonissent, F.F. Abraham: J. Chem. Phys. 74, 4029 (1981)

    Article  CAS  Google Scholar 

  68. M.R. Mruzik, S.H. Garofalini, G.M. Pound: Surf. Sci. 103, 353 (1981)

    Article  CAS  Google Scholar 

  69. A. Ueda, J. Takada, Y. Hiwatari: J. Phys. Soc. Jpn. 50, 307 (1981)

    Article  CAS  Google Scholar 

  70. Y. Yamamura, K. Chikaishi, M. Iaumi, Y. Kitazoe: Kaku Yuso Kenkyu, Bessarau 44, 33 (1980)

    CAS  Google Scholar 

  71. H.L. Scott, C.Y. Lee: J. Chem. Phys. 73, 5351 (1980)

    Article  CAS  Google Scholar 

  72. C.Y. Lee, H.L. Scott: J. Chem. Phys. 73, 4591 (1980)

    Article  CAS  Google Scholar 

  73. C.L. Marquardt, M.E. Ginserich, J.W. Williams: Stud. Surf. Sci. Catal. 4, 345 (1980)

    Article  CAS  Google Scholar 

  74. K. Binder, D. Stauffer: Adv. Phys. 25, 343 (1976)

    Article  CAS  Google Scholar 

  75. M.R. Mruzik: Diss. Abstr. Int. B. 36, 6325 (1976)

    Google Scholar 

  76. J.B. Kaelberer, Diss. Abstr. Int. B. 36, 6249 (1976)

    Google Scholar 

  77. M.J. Mandell, J.P. McTague, A. Rahman: J. Chem. Phys. 64, 3699 (1976)

    Article  CAS  Google Scholar 

  78. M.R. Mruzik, F.F. Abraham, D.E. Schreiber, G.M. Pound: J. Chem. Phys. 64, 481 (1976)

    Article  CAS  Google Scholar 

  79. C.L. Briant, J.J. Burton: J. Chem. Phys. 64, 2888 (1976)

    Article  CAS  Google Scholar 

  80. C.L. Briant, J.J. Burton: J. Chem. Phys. 63, 2045 (1975)

    Article  CAS  Google Scholar 

  81. K. Binder: J. Chem. Phys. 63, 2265 (1975)

    Article  CAS  Google Scholar 

  82. F.F. Abraham, J.A. Barker: J. Chem. Phys. 63, 2255 (1975)

    Article  Google Scholar 

  83. A. Bonissent, B. Mutaftschiev: J. Cryst. Growth 24, 503 (1974)

    Article  Google Scholar 

  84. F.F. Abraham: J. Chem. Phys. 61, 1221 (1974)

    Article  CAS  Google Scholar 

  85. W. Damgaard Kristensen, E.J. Jensen, R.M.J. Cotterill: J. Chem. Phys. 60, 4161 (1974)

    Article  Google Scholar 

  86. J.P. Gayda, H. Ottavi: J. Phys. (Paris) 35, 393 (1974)

    CAS  Google Scholar 

  87. A.I. Michaels, G.M. Pound, F.F. Abraham: J. Appl. Phys. 45, 9 (1974)

    Article  CAS  Google Scholar 

  88. D.J. McGinty: J. Chem. Phys. 58, 4733 (1973)

    Article  CAS  Google Scholar 

  89. J.K. Lee, J.A. Barker, F.F. Abraham: J. Chem. Phys. 58, 3166 (1973)

    Article  CAS  Google Scholar 

  90. B. Borstnik, A. Azman: Chem. Phys. Lett. 14, 451 (1972)

    Article  CAS  Google Scholar 

  91. G.H. Gilmer, P. Bennema: J. Cryst. Growth 13, 144 (1972)

    Article  Google Scholar 

  92. C.L. Briant, J.J. Burton: J. Chem. Phys. 63, 3327 (1972)

    Article  Google Scholar 

  93. C.L. Briant, J.J. Burton: J. Chem. Phys. 63, 2045 (1972)

    Article  Google Scholar 

  94. S. Toxvaerd: J. Chem. Phys. 62, 1589 (1975)

    Article  CAS  Google Scholar 

  95. A.I. Michaels, G.M. Pound, F.F. Abraham: J. Appl. Phys. 45, 9 (1974)

    Article  CAS  Google Scholar 

  96. H. Meuller-Krumbhaar: in Monte Carlo Methods, ed. by K. Binder, Topics in Current Physics, Vol. 7 (Springer, Berlin, Heidelberg, New York 1979) p. 195, 361

    Google Scholar 

  97. N-H. Tsai: Diss. Abstr. Int. B 39, 2931 (1978)

    Google Scholar 

  98. N-H. Tsai, F.F. Abraham, G.M. Pound: Surf. Sci. 77, 465 (1978)

    Article  CAS  Google Scholar 

  99. J. Miyazaki, G.M. Pound, F.F. Abraham, J.A. Barker: J. Chem. Phys. 67, 3851 (1977)

    Article  CAS  Google Scholar 

  100. K. Binder: Adv. Colloid Interface Sci. 7, 279 (1977)

    Article  CAS  Google Scholar 

  101. C. Van Leeuwen, J.P. Van der Eerden: Surf. Sci. 64, 237 (1977)

    Article  Google Scholar 

  102. K.W. Mahin, K. Hanson, J.W. Morris, Jr.: Nucl. Metall. 20 (1976)

    Google Scholar 

  103. S.M. Thompson, K.E. Gubbins: J. Chem. Phys. 70, 4947 (1979)

    Article  CAS  Google Scholar 

  104. G.H. Gilmer: Faraday Symp. Chem. Soc. 12, (1977)

    Google Scholar 

  105. S.M. Thompson, K.E. Gubbins: ACS Symposium Ser. 86, (1978)

    Google Scholar 

  106. J.Q. Broughton, L.V. Woodcock: J. Phys. C. 11, (1978)

    Google Scholar 

  107. S. Toxvaerd, E. Praestgaard: Ann. Isr. Phys. Soc. 2, 495 (1978)

    CAS  Google Scholar 

  108. A.I. Rusanov, E.N. Brodskaya: J. Colloid Interface Soc. 62, 542 (1977)

    Article  CAS  Google Scholar 

  109. G. Saville: J. Chem. Soc. Faraday Trans. 73, 1122 (1977)

    Article  CAS  Google Scholar 

  110. J.M. Haile: Diss. Abstr. Int. B. 38, 754 (1977)

    Google Scholar 

  111. E.N. Brodskaya, A.I. Rusanov: Kolloidn. Zh. 39, 646 (1977)

    CAS  Google Scholar 

  112. S.P. Protsenko, V.P. Skripov: Fiz.Nizk.Temp. (Kiev) 3, 5 (1977)

    CAS  Google Scholar 

  113. G.H. Bishop, G.A. Bruggman, R.J. Harrison, J.A. Cox, Sidney Yip: Nucl. Metall. 76 (20)

    Google Scholar 

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Berne, B.J., Mikkilineni, R.V. (1982). Computer Experiments on Heterogeneous Systems. In: Marlow, W.H. (eds) Aerosol Microphysics II. Topics in Current Physics, vol 29. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-81805-9_4

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