Simulating Complex Fluids

References

• Allen , M. P. and Tildesley , D. J. 1987 . Computer Simulation of Liquids , Oxford : Clarendon .
   Google Scholar
• Fincham , D. 1987 . Parallel computers and molecular simulation . Mol. Sim. , 1 : 145
   Web of Science ®Google Scholar
• Siepmann , J. I. and Frenkel , D. 1992 . Configurational-bias Monte Carlo: a new sampling scheme for flexible chains . Mol. Phys. , 75 : 59 – 70 .
   Web of Science ®Google Scholar
• Frenkel , D. , Mooij , G. C.A.M. and Smit , B. 1992 . Novel scheme to study structural and thermal properties of continuously deformable molecules . J. Phys.: Condens. Matter , 4 : 3053 – 3070 .
   Web of Science ®Google Scholar
• Mittal , K. L. and Lindman , B. , eds. 1984 . Surfactants in Solution , New York : Plenum .
   Google Scholar
• Lang , J. and Zana , R. 1987 . “ Chemical relaxation methods ” . In Surfactants in Solution: new methods of investigation , Edited by: Zana , R. New York : Dekker .
   Google Scholar
• Hann , S. W. and Pratt , L. R. 1981 . Monte Carlo study of a simple model for micelle structure . Chem. Phys. Lett. , 79 : 430 – 440 .
   Web of Science ®Google Scholar
• Haile , J. M. and O'Connell , J. P. 1984 . Internal structure of a model micelle via computer simulation . J. Phys. Chem. , 88 : 6363 – 6366 .
   Web of Science ®Google Scholar
• Karaborni , S. and O'Connell , J. P. 1990 . Molecular dynamics simulations of model micelles. 3. Effects of various intermolecular potentials . Langmuir , 6 : 905
   Web of Science ®Google Scholar
• Jönsson , B. , Edholm , O. and Teleman , O. J. 1986 . Molecular dynamics simulations of a sodium octanoate micelle in aqueous solution . J. Chem. Phys. , 85 : 2259 – 2271 .
   Web of Science ®Google Scholar
• Watanabe , K. and Klein , M. L. 1989 . Shape fluctuations in ionic micelles . J. Phys. Chem. , 93 : 6897 – 6901 .
   Web of Science ®Google Scholar
• Shelley , J. C. , Sprik , M. and Klein , M. L. 1993 . Molecular dynamics simulations of an aqueous sodium octanoate micelle using polarizable surfactant molecules . Langmuir , 9 : 916 – 926 .
   Web of Science ®Google Scholar
• Smit , B. 1993 . “ Computer simulations of surfactants. ” . In Computer simulation in Chemical Physics , NATO ASI Edited by: Allen , M. P. and Tildesley , D. J. 461 – 472 . Dordrecht : Kluwer .
   Google Scholar
• Smit , B. , Hilbers , P. A.J. , Esselink , K. , Rupert , L. A.M. , van Os , N. M. and Schlijper , A. G. 1990 . The structure of the water/oil interface in the presence of micelles . Nature , 348 : 624 – 625 .
   Web of Science ®Google Scholar
• Smit , B. , Esselink , K. , Hilbers , P. A.J. , van Os , N. M. and Szleifer , I. 1993 . Computer simulations of surfactant self-assembly . Langmuir , 9 : 9 – 11 .
   Web of Science ®Google Scholar
• Drouffe , J. M. , Maggs , A. C. and Leibler , S. 1991 . Computer simulations of self-assembled membranes . Science , 254 : 1353 – 254 .
   PubMed Web of Science ®Google Scholar
• Karaboni , S. , van Os , N. M. , Esselink , K. and Hilbers , P. A.J. 1993 . Molecular dynamics simulations of oil solubilization in surfactant solution . Langmuir , 9 : 1175 – 1178 .
   Web of Science ®Google Scholar
• Wheeler , J. C. and Widom , B. 1968 . Phase transitions and critical points in a model three-component system . J. Am. Chem. Soc. , 90 : 3064
   Web of Science ®Google Scholar
• Widom , B. 1984 . Lattice-gas model of amphiphiles and of their orientation at interfaces . J. Phys. Chem. , 88 : 6508 – 6514 .
   Web of Science ®Google Scholar
• Widom , B. 1987 . Phase transitions in surfactant solutions and in their interfaces . Langmuir , 3 : 12 – 17 .
   Web of Science ®Google Scholar
• Gompper , G. and Schick , M. “ Lattice theories of microemulsions. ” . In Modern Ideas and Problems in Amphiphilic Science , Edited by: Gelbart , W. M. , Roux , D. and Ben-Shaul , A. Berlin : Springer . in press
   Google Scholar
• Stillinger , F. H. 1983 . Variational model for micelle structure . J. Chem. Phys. , 78 : 4654 – 4661 .
   Web of Science ®Google Scholar
• Wu , D. , Chandler , D. and Smit , B. 1992 . Electrostatic analogy for surfactant assemblies . J. Phys. Chem. , 96 : 4077 – 4083 .
   Web of Science ®Google Scholar
• Telo da Gama , M. M. and Gubbins , K. E. 1986 . Adsorption and orientation of amphiphilic molecules at a liquid–liquid interface . Mol. Phys. , 59 : 227 – 239 .
   Web of Science ®Google Scholar
• Smit , B. 1988 . Molecular dynamics simulations of amphiphilic molecules at a liquid–liquid interface . Phys. Rev. A , 37 : 3431 – 3433 .
   PubMed Web of Science ®Google Scholar
• Smit , B. , Schlijper , A. G. , Rupert , L. A.M. and van Os , N. M. 1990 . Effects of chain length of surfactnats on the interfacial tension: Molecular dynamics simulations and experiments . J. Phys. Chem. , 94 : 6934 – 6935 .
   Web of Science ®Google Scholar
• Smit , B. 1990 . Computer Simulation of Phase Coexistence: from Atoms to Surfactants , The Netherlands : Rijksuniversiteit Utrecht . Ph.D. thesis
   Google Scholar
• Hilbers , P. A.J. and Esselink , K. 1993 . “ Parallel computing and molecular dynamics simulations. ” . In Computer simulation in Chemical Physics , NATO ASI Edited by: Allen , M. P. and Tildesley , D. J. 473 – 495 . Dordrecht : Kluwer .
   Google Scholar
• Li , J. , Brass , D. J. , Ward , D. J. and Robson , B. 1990 . A study of parallel molecular dynamics algorithms for N-body simulations on a transputer system . Par. Comp. , 14 : 211 – 222 .
   Web of Science ®Google Scholar
• Esselink , K. , Smit , B. and Hilbers , P. A.J. 1993 . Efficient parallel implementation of molecular dynamics on a toroidal network: Part I parallelizing Strategy . J. Comp. Phys. , 106 : 101 – 107 .
   Web of Science ®Google Scholar
• Petersen , H. G. , De Leeuw , S. W. and Perram , J. W. 1989 . Molecular dynamics on transputer arrays 1. Algorithm design, programming issues timing experiments and scaling projections . Mol. Phys. , 66 : 637
   Web of Science ®Google Scholar
• Pinches , M. R.S. , Tildesley , D. J. and Smith , W. 1991 . Large scale molecular dynamics on parallel computers using the linked-cell algorithm . Mol. Simulations , 6 : 51 – 87 .
   Web of Science ®Google Scholar
• Esselink , K. and Hilbers , P. A.J. 1993 . Efficient parallel implementation of molecular dynamics on a toroidal network: Part II multi-particle potentials . J. Comp. Phys. , 106 : 108 – 114 .
   Web of Science ®Google Scholar
• Smit , B. , Hilbers , P. A.J. , Esselink , K. , Rupert , L. A.M. , van Os , N. M. and Schlijper , A. G. 1991 . Structure of a water/oil interface in the presence of micelles: a computer simulation study . J. Phys. Chem. , 95 : 6361 – 6368 .
   Web of Science ®Google Scholar
• Smit , B. , Hilbers , P. A.J. and Esselink , K. 1993 . Computer simulations of simple oil/water/surfactant systems . Tenside Surf. Det. , 30 : 287 – 293 .
   Google Scholar
• Balazs , A. C. , Zhoe , Z. and Yeung , C. 1992 . Behaviour of amphiphilic comb copolymers in oil/water mixtures: a molecular dynamics study . Langmuir , 8 : 2295 – 2300 .
   Web of Science ®Google Scholar
• Panagiotopoulos , A. Z. 1987 . Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble . Mol. Phys. , 61 : 813 – 826 .
   Web of Science ®Google Scholar
• Smit , B. 1993 . “ Computer simulations in the gibbs ensemble. ” . In Computer simulation in Chemical Physics , NATO ASI Edited by: Allen , M. P. and Tildesley , D. J. 173 – 209 . Dordrecht : Kluwer .
   Google Scholar
• Siepmann , J. I. and McDonald , I. R. 1993 . Monte Carlo simulation of the mechanical relaxation of a selfassembled monolayer . Phys. Rev. Lett. , 70 : 453 – 456 .
   PubMed Web of Science ®Google Scholar
• Siepmann , J. I. and McDonald , I. R. 1993 . Monte Carlo study of the properties of self-assembled monolayers formed by the adsorption of CH3(CH3)15SH on the (111) surface of gold . Mol. Phys. , 79 : 457 – 473 .
   Web of Science ®Google Scholar
• Mooij , G. C.A.M. , Frenkel , D. and Smit , B. 1992 . Direct simulation of phase equilibria of chain molecules . J. Phys.: Condens. Matter , 4 : L255 – L259 .
   Web of Science ®Google Scholar
• Laso , M. , de Pablo , J. J. and Suter , U. W. 1992 . Simulation of phase equilibra for chain molecules . J. Chem. Phys. , 97 : 2817 – 2819 .
   Web of Science ®Google Scholar
• Siepmann , J. I. , Karaborni , S. and Smit , B. 1993 . Simulating the critical properties of complex fluids . Nature , 365 : 330 – 332 .
   Web of Science ®Google Scholar
• Siepmann , J. I. , Karaborni , S. and Smit , B. 1993 . Vapor-liquid equilibria of model alkanes . J. Am. Chem. Soc. , 115 : 6454 – 6455 .
   Web of Science ®Google Scholar
• Jorgensen , W. L. , Madura , J. D. and Swenson , C. J. 1984 . Optimized intermolecular potential function for liquid hydrocarbons . J. Am. Chem. Soc. , 106 : 6638 – 6646 .
   Web of Science ®Google Scholar
• Tsonopoulos , C. 1981 . Critical constant of normal alkanes from methane to polyethylene . AIChE Journal , 133 : 2080 – 2083 .
   Google Scholar
• Smith , B. D. and Srivastava , R. 1986 . Thermodynamics data for pure compounds: Part A hydrocarbons and ketones. , Amsterdam : Elsevier .
   Google Scholar