Monte Carlo simulation of the adsorption of diblock copolymers from a nonselective solvent. I. Adsorption kinetics and adsorption isotherms

1993 ◽  
Vol 98 (9) ◽  
pp. 7502-7507 ◽  
Author(s):  
Yongjian Zhan ◽  
Wayne L. Mattice ◽  
Donald H. Napper
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Adsorption Isotherms ◽  
Adsorption Kinetics ◽  
Diblock Copolymers

scholarly journals A Test of the Horvath–Kawazoe Method by Monte Carlo Simulation

1997 ◽  
Vol 15 (1) ◽  
pp. 15-24 ◽  
Author(s):  
D. Valladares ◽  
G. Zgrablich
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Pore Size ◽  
Size Distribution ◽  
Adsorption Isotherms ◽  
Nitrogen Adsorption ◽  
Size Distributions ◽  
Micropore Size Distribution ◽  
Nitrogen Adsorption Isotherms ◽  
Micropore Size

The Horvath–Kawazoe (H–K) method, which is frequently used to obtain the micropore size distributions of microporous materials, has been tested by Monte Carlo Simulation of nitrogen adsorption isotherms. The results show that the H–K method only gives good results when the microporosity is confined to a pore size lower than approximately 13 Å. In this region, although the method can predict the micropore size distribution peak with acceptable precision, it fails for wider distributions.

MONTE CARLO SIMULATION OF SELF-ASSEMBLED AMPHIPHILIC DIBLOCK COPOLYMER IN SOLUTION

2003 ◽  
Vol 17 (01n02) ◽  
pp. 241-244 ◽  
Author(s):  
PINGCHUAN SUN ◽  
YUHUA YIN ◽  
BAOHUI LI ◽  
QINGHUA JIN ◽  
DATONG DING
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
The Self ◽  
Amphiphilic Diblock Copolymer ◽  
The Core ◽  
Spherical Micelles ◽  
The Given

In this paper, Monte Carlo method is applied to simulate the process of the self-assembly of amphiphilic diblock copolymer with a series of block lengths of the insoluble and soluble blocks. Under the given simulation conditions, the diblock copolymers form spherical micelles in solution. The dependence of the core radii of spherical micelles on both block lengths is obtained and compared with experimental results of Eisenberg and coworkers.

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