Density Profiles of Semi-Dilute Polymer Solutions Near a Hard Wall: Monte Carlo Simulation

1989 ◽  
Vol 153 ◽  
Author(s):  
Wan Y. Shih ◽  
Wei-Heng Shih ◽  
Ilhan A. Aksay
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Solutions ◽  
Polymer Concentration ◽  
Scaling Theory ◽  
Hard Wall ◽  
Density Profiles ◽  
Bulk Properties ◽  
Dilute Polymer Solutions ◽  
Physical Quantities

A semi-dilute polymer solution is one in which polymers overla1p. The bulk properties of semi-dilute polymer solutions have been studied extensively and much has been known. The scaling theory has been very successful. 1,2 The predictions of the scaling theory about various physical quantities as a function of polymer concentration, c, have been confirmed experimentally. 1,3

Structure of chemically reacting particles near a hard wall from integral equations and computer simulations

1996 ◽  
Vol 74 (1-2) ◽  
pp. 65-76 ◽  
Author(s):  
A. Trokhymchuk ◽  
D. Henderson ◽  
S. Sokołowski
Keyword(s):  
Monte Carlo ◽  
Computer Simulations ◽  
Hard Spheres ◽  
Total Density ◽  
Hard Wall ◽  
Monte Carlo Data ◽  
Density Profiles ◽  
Interparticle Potential ◽  
Theoretical Predictions ◽  
Chemically Reacting

We performed Monte-Carlo computer simulations of a fluid of chemically reacting, or overlapping, hard spheres near a hard wall. The model of the interparticle potential is that introduced by Cummings and Stell. This investigation is directed to the determination of the structure of the fluid at the wall, and the orientation of the dimers in particular. In addition, we applied the singlet Percus–Yevick, hypernetted chain and Born–Green–Yvon equations to calculate the total density profiles of the particles. A comparison with the Monte-Carlo data indicates that the singlet Percus–Yevick theory is superior and leads to results that are in reasonable agreement with simulations for all the parameters investigated. We also calculated the average numbers of dimers formed in the bulk part of the system and the results are compared with different theoretical predictions.

Monte Carlo Simulation of Relaxation in Polymer Solutions After a Temperature Jump

1997 ◽  
Vol 08 (03) ◽  
pp. 589-593 ◽  
Author(s):  
Marcus Fobbe
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Relaxation Time ◽  
Temperature Jump ◽  
Polymer Solutions ◽  
Relaxation Behavior ◽  
Point Of Interest ◽  
Polymer Size

This article discusses the results of simulations of polymer solutions with the Larson model. The point of interest was the relaxation behavior after a temperature jump. It could be shown that the relaxation time is not independent from the polymer size.

Thermodynamics of the hard-disk fluid at a planar hard wall: Generalized scaled-particle theory and Monte Carlo simulation

2018 ◽  
Vol 149 (8) ◽  
pp. 084701 ◽  
Author(s):  
Seth C. Martin ◽  
Brian B. Laird ◽  
Roland Roth ◽  
Hendrik Hansen-Goos
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Hard Disk ◽  
Scaled Particle Theory ◽  
Hard Wall ◽  
Particle Theory

Monte Carlo Simulation of Many-Chain Star Polymer Solutions

1999 ◽  
Vol 32 (2) ◽  
pp. 499-505 ◽  
Author(s):  
Luis A. Molina ◽  
Juan J. Freire
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Solutions ◽  
Star Polymer
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