Monte-Carlo studies

Card D N and Valleau J 1970 Monte Carlo study of the thermodynamics of electrolyte solutions J. Chem. Phys. 52 6232... [Pg.554]

Barker J A and Watts R O 1973 Monte Carlo studies of the dielectric properties of water-like models Mol. Phys. 26 789-92... [Pg.2282]

Eppenga R and Frenkel D 1984 Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets Mol. Phys. 52 1303-34... [Pg.2282]

Wood W W 1968 Monte Carlo studies of simple liquid models Physics of Simple Liquids ed H N V Temperley, J S Rowlinson and G S Rushbrooke (Amsterdam North Holland) chapter 5, pp 115-230... [Pg.2286]

Boihuis P G and Kofke D A 1996 Monte Carlo study of freezing of polydisperse hard spheres Phys. Rev. E 54... [Pg.2287]

Werner A, Sohmid F, Muller M and Binder K 1997 Anomalous size-dependenoe of interfaoial profiles between ooexisting phases of polymer mixtures in thin film geometry a Monte-Carlo study J. Chem. Phys. 107 8175... [Pg.2385]

Flaan S W and Pratt L R 1981 Monte Carlo study of a simple model for mioelle struoture Chem. Phys. Lett. 79 436-40... [Pg.2605]

Allan N L, G D Barrera, J A Purton, C E Sims and M B Taylor 2000. Ionic Solids at High Temperatures and Pressures Ah initio, Lattice Dynamics and Monte Carlo Studies. Physical Chemistry Chemical Physics 2 1099-1111. [Pg.315]

A7 Ethane/methane selectivity calculated from grand canonical Monte Carlo simulations of mixtures in slit IS at a temperature of 296 K. The selectivity is defined as the ratio of the mole fractions in the pore to the ratio of mole fractions in the bulk. H is the slit width defined in terms of the methane collision diameter (Tch,- (Figure awn from Crackncll R F, D Nicholson and N Quirke 1994. A Grand Canonical Monte Carlo Study ofLennard-s Mixtures in Slit Pores 2 Mixtures of Two-Centre Ethane with Methane. Molecular Simulation 13 161-175.)... [Pg.458]

Siepmann J I and I R McDonald 1993b. Monte Carlo Study of the Properties of Self-assembh Monolayers Formed by Adsorption of CH3(CH2)i5SH on the (111) Surface of Gold. Molecul Physics 79 457-473. [Pg.471]

W. W. Wood. Monte Carlo studies. In H.N.V Temperley, G. S. Rushbrooke, J. S. Rowlinson, eds. Physics of Simple Liquids. Amsterdam North Holland, 1968, pp. 116-230. [Pg.69]

I. K. Snook, D. Henderson. Monte Carlo study of a hard-sphere fluid near a hard wall. J Chem Phys (55 2134-2139, 1978. [Pg.71]

T. Gruhn, M. Schoen. A grand canonical ensemble Monte Carlo study of confined planar and homeotropically anchored Gay-Berne films. Mol Phys 95 681-692, 1998. [Pg.71]

With increasing values of P the molar volume is in progressively better agreement with the experimental values. Upon heating a phase transition takes place from the a phase to an orientationally disordered fee phase at the transition temperature where we find a jump in the molar volume (Fig. 6), the molecular energy, and in the order parameter. The transition temperature of our previous classical Monte Carlo study [290,291] is T = 42.5( 0.3) K, with increasing P, T is shifted to smaller values, and in the quantum limit we obtain = 38( 0.5) K, which represents a reduction of about 11% with respect to the classical value. [Pg.97]

A. A Monte Carlo study of wetting of associating fluids 229... [Pg.167]

A. A Monte Carlo Study of Wetting of Associating Fluids... [Pg.229]

FIG. 9 Changes of the monolayer film critical temperature with the concentration of impurities obtained from the Monte Carlo simulations (open circles) and resulting from the mean field theory (solid line). (Reprinted from A. Patrykiejew. Monte Carlo studies of adsorption. II Localized monolayers on randomly heterogeneous surfaces. Thin Solid Films, 205 189-196, with permision from Elsevier Science.)... [Pg.274]

A. Cashes, J. Mai, W. von Niessen. A Monte Carlo study of the CO oxidation on probabilistic fractals. J Chem Phys 99 3082-3091, 1993. [Pg.433]

A. P. J. Jansen, R. M. Nieminen. A Monte Carlo study of CO oxidation with oscillations induced by site blocking. J Chem Phys 706 2038-2044, 1997. [Pg.434]

G. F. Toothill, M. Jaric. Monte Carlo study of polymerization on a lattice Two dimensions. Phys Rev B 27 2981-2985, 1985. [Pg.550]

A. Milchev, D. P. Landau. Monte Carlo study of semiflexible living polymers. Phys Rev E 52 6431-6441, 1995. [Pg.550]

J. S. Pedersen, M. Laso, P. Schurtenberger. Monte Carlo study of excluded volume effects in worm-like micelles and semi-flexible polymers. Phys Rev E 54 R5917-R5920, 1996. [Pg.552]

Y. Rouault, A. Milchev. Monte Carlo study of living polymers with the bond-fluctuation method. Phys Rev E 57 5905-5910, 1995. [Pg.552]

A. Milchev, Y. Rouault. A Monte Carlo study of thermodynamic relaxation in living polymers. J Physique II 5 343-347, 1995. [Pg.552]

J. Wittmer, A. Milchev, M. Cates. Dynamical Monte Carlo study of equilibrium polymers Static properties. J Chem Phys 709 834-845, 1998. [Pg.552]

A. Milchev, K. Binder. Polymer solutions confined in slit-hke pores with attractive walls An off-lattice Monte Carlo study of static properties and chain dynamics. J Computer-Aided Mater Des 2 167-181, 1995. [Pg.624]

I. Bitsanis, G. ten Brinke. A lattice Monte Carlo study of long chain conformations at a solid polymer-melt interface. J Chem Phys 99 3100-3111, 1993. [Pg.626]

I. Webman, J. L. Lebowitz, M. H. Kalos. Monte-Carlo studies of a polymer between planes, crossover between dimensionalities. J Physique 47 579-583, 1980. [Pg.627]

D. Wu, K. Hui, D. Chandler. Monte Carlo study of polymers in equilibrium with random obstacles. J Chem Phys 96.-835-841, 1991. [Pg.629]

The example illustrates how Monte Carlo studies of lattice models can deal with questions which reach far beyond the sheer calculation of phase diagrams. The reason why our particular problem could be studied with such success Hes of course in the fact that it touches a rather fundamental aspect of the physics of amphiphilic systems—the interplay between structure and wetting behavior. In fact, the results should be universal and apply to all systems where structured, disordered phases coexist with non-struc-tured phases. It is this universal character of many issues in surfactant physics which makes these systems so attractive for theoretical physicists. [Pg.660]

The first Monte Carlo study of osmotic pressure was carried out by Panagiotopoulos et al. [16], and a much more detailed study was subsequently carried out using a modified method by Murad et al. [17]. The technique is based on a generalization of the Gibbs-ensemble Monte Carlo (GEMC) method applied to membrane equihbria. The Gibbs ensemble method has been described in detail in many recent reports so we will only summarize the extension of the method to membrane equilibria here [17]. In the case of two phases separated by semi-permeable membranes... [Pg.780]

R. O. Watts. Monte-Carlo studies of liquid water. Mol Phys 25 1069, 1974. [Pg.797]

S. Hata, H. Fujita, C. G. Shlesier, S. Matsumura, N. Kuwano, K. Oki. Monte Carlo study of ordering processes in fcc-based Ni-Mo alloys. Mater Trans JIM 39 m, 1998. [Pg.926]

M. Scheidlcr, U. Lcmmer, R. Kersting, S. Karg, W. Riess, B. Clcve, R.F. Malm, H. Kurz, H. Bassler, E. O. Cbbcl, P. Thomas, Monte Carlo study of picosecond excilon relaxation and dissociation in poly(pheny)cncvinylcne), Phys. Rev. B, 1996. 54,. 553ft. [Pg.177]

Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...