Measuring Forces in Lattice Polymer Simulations

1998 ◽  
pp. 59-74
Author(s):  
Ronald Dickman
Keyword(s):  
Lattice Polymer

Schottky anomaly in a repulsive lattice polymer

2016 ◽  
Vol 68 (2) ◽  
pp. 288-295 ◽  
Author(s):  
Jae Hwan Lee ◽  
Julian Lee ◽  
Seung-Yeon Kim
Keyword(s):  
Schottky Anomaly ◽  
Lattice Polymer

scholarly journals Modeling Replenishment of Ultrathin Liquid Perfluoropolyether Z Films on Solid Surfaces Using Monte Carlo Simulation

2014 ◽  
Vol 2014 ◽  
pp. 1-9
Author(s):  
M. S. Mayeed ◽  
T. Kato
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Liquid Films ◽  
Experimental Results ◽  
Solid Surfaces ◽  
Carbon Surface ◽  
Radius Of Gyration ◽  
Constant Multiple ◽  
Molecular Weights ◽  
Lattice Polymer

Applying the reptation algorithm to a simplified perfluoropolyether Z off-lattice polymer model an NVT Monte Carlo simulation has been performed. Bulk condition has been simulated first to compare the average radius of gyration with the bulk experimental results. Then the model is tested for its ability to describe dynamics. After this, it is applied to observe the replenishment of nanoscale ultrathin liquid films on solid flat carbon surfaces. The replenishment rate for trenches of different widths (8, 12, and 16 nms for several molecular weights) between two films of perfluoropolyether Z from the Monte Carlo simulation is compared to that obtained solving the diffusion equation using the experimental diffusion coefficients of Ma et al. (1999), with room condition in both cases. Replenishment per Monte Carlo cycle seems to be a constant multiple of replenishment per second at least up to 2 nm replenished film thickness of the trenches over the carbon surface. Considerable good agreement has been achieved here between the experimental results and the dynamics of molecules using reptation moves in the ultrathin liquid films on solid surfaces.

Phase equilibria of lattice polymer and solvent: tests of theories against simulations

1990 ◽  
Vol 23 (4) ◽  
pp. 1181-1191 ◽  
Author(s):  
William G. Madden ◽  
Adriana I. Pesci ◽  
Karl F. Freed
Keyword(s):  
Phase Equilibria ◽  
Lattice Polymer

Three Coordination Polymers Built by Methoxyphenyl Imidazole Dicarboxylate: Solvothermal Syntheses, Crystal Structures, and Properties

2015 ◽  
Vol 68 (6) ◽  
pp. 956 ◽  
Author(s):  
Ming-An Dang ◽  
Zi-Feng Li ◽  
Ying Liu ◽  
Gang Li
Keyword(s):  
Coordination Polymers ◽  
Three Dimensional ◽  
Photoluminescence Properties ◽  
X Ray Diffraction ◽  
Bridging Ligands ◽  
X Ray ◽  
Structures And Properties ◽  
Solvothermal Syntheses ◽  
Lattice Polymer ◽  
Imidazole Dicarboxylate

Three coordination polymers [Sr(p-H2MOPhIDC)2]n (1) (p-H3MOPhIDC = 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylic acid), {[Cd2(p-HMOPhIDC)2(4,4′-bipy)]⋅H2O}n (4,4′-bipy = 4,4′-bipyridine) (2), and [Zn(p-HMOPhIDC)(4,4′-bipy)]n (3) have been solvothermally synthesized, and structurally characterized by single-crystal X-ray diffraction. Polymer 1 indicates a three-dimensional framework, which can be simplified as a 6-connected lattice. Polymer 2 is also a three-dimensional framework, and contains mixed bridging ligands HMOPhIDC2– and 4,4′-bipy. Polymer 3 exhibits a sheet structure bearing infinite rectangles. The coordination modes of the p-H3MOPhIDC ligand, and the thermal and solid-state photoluminescence properties of the polymers have been investigated as well.

Efficient algorithm for computing exact partition functions of lattice polymer models

2016 ◽  
Vol 209 ◽  
pp. 27-33 ◽  
Author(s):  
Yu-Hsin Hsieh ◽  
Chi-Ning Chen ◽  
Chin-Kun Hu
Keyword(s):  
Efficient Algorithm ◽  
Partition Functions ◽  
Lattice Polymer ◽  
Polymer Models

scholarly journals Small-world networks and the conformation space of a short lattice polymer chain

2001 ◽  
Vol 55 (4) ◽  
pp. 594-600 ◽  
Author(s):  
A Scala ◽  
L. A. Nunes Amaral ◽  
M Barthélémy
Keyword(s):  
Polymer Chain ◽  
Small World ◽  
Small World Networks ◽  
Lattice Polymer ◽  
Conformation Space

Study on the ground states of a square-lattice polymer by using exhaustive enumeration

2016 ◽  
Vol 69 (10) ◽  
pp. 1518-1522 ◽  
Author(s):  
Jae Hwan Lee ◽  
Julian Lee ◽  
Seung-Yeon Kim
Keyword(s):  
Ground States ◽  
Square Lattice ◽  
Lattice Polymer
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