Depletion and bridging forces in polymer systems: Monte Carlo simulations at constant chemical potential

2000 ◽  
Vol 113 (13) ◽  
pp. 5493 ◽  
Author(s):  
Andrei Broukhno ◽  
Bo Jönsson ◽  
Torbjörn Åkesson ◽  
Pavel N. Vorontsov-Velyaminov
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Chemical Potential ◽  
Polymer Systems

Small-angle scattering from collections of interacting hard ellipsoids of revolution studied by Monte Carlo simulations and other methods of statistical thermodynamics

1999 ◽  
Vol 32 (5) ◽  
pp. 917-923 ◽  
Author(s):  
Bo Sjöberg
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Small Angle ◽  
Chemical Potential ◽  
Compressibility Factor ◽  
Particle Method ◽  
Spherical Particles ◽  
Angle Scattering ◽  
Approximation Formulas ◽  
Experimental Values

Computer simulations using Monte Carlo methods are used to investigate the effects of interparticle correlations on small-angle X-ray and neutron scattering from moderate or highly concentrated systems of ellipsoids of revolution. Both oblate and prolate ellipsoids, of varying eccentricities and concentrations, are considered. The advantage with Monte Carlo simulation is that completely general models, both regarding particle shapes and interaction potentials, can be considered. Equations are also given that relate the nonideal part of the chemical potential, βμni, with the scattering at zero angle,I(0), and the compressibility factor,z. The quantity βμnican be obtained during the Monte Carlo simulations by using Widom's test-particle method. For spherical particles, the simulations are compared with approximation formulas based on the Percus–Yevick equation. A method is also suggested for the calculation of both βμniandzfrom experimental values ofI(0) recorded as a function of concentration.

Monte Carlo simulations of the chemical potential of model benzene fluids

1989 ◽  
Vol 53 ◽  
pp. 143-150 ◽  
Author(s):  
R.E. Randelman ◽  
G.S. Crest ◽  
M. Radosz
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Chemical Potential

The Use of Monte Carlo Simulations for the Interpretation of Light Scattering and Fluorescence Data on Self-Assembling Polymer Systems in Solutions

2008 ◽  
Vol 73 (3) ◽  
pp. 293-313
Author(s):  
Pavel Matějíček ◽  
Filip Uhlík ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Light Scattering ◽  
Monte Carlo Simulations ◽  
Simplified Model ◽  
Necessary Condition ◽  
Published Data ◽  
Basic Principles ◽  
Feature Article ◽  
Polymer Systems ◽  
Self Assembling

In this feature article, we demonstrate the usefulness of tailor-made computer simulations for the interpretation of experimental data. Two examples of studies on self-assembling copolymer systems (by light scattering and fluorescence spectroscopy) performed some time ago are reviewed. It is shown how some unexpected and confusing results could have been interpreted using of Monte Carlo simulations. In both cases, a short outline of the experimental study including the motivation and the most important results is given first. Then the results of simulations are described and discussed with respect to the questions generated by experimental work. In this paper, we included both unpublished and already published data. Thus, the interpretation of the behavior and general conclusions are formulated in a retrospective way. The paper shows that simulations based on a considerably simplified model can complete the mosaic of evidences necessary for a reasonable interpretation of experimental results and can help to understand basic principles of their behavior. The necessary condition is that the model, even though strongly simplified, has to show all essential qualitative features of the behavior.

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