scholarly journals Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties

2015 ◽  
Vol 143 (2) ◽  
pp. 024902 ◽  
Author(s):  
Wen-Sheng Xu ◽  
Karl F. Freed
Keyword(s):  
Thermodynamic Properties ◽  
Lattice Model ◽  
Polymer Melts ◽  
Chain Stiffness ◽  
Telechelic Polymer

scholarly journals Slow Dynamics of Ring Polymer Melts by Asymmetric Interaction of Threading Configuration: Monte Carlo Study of a Dynamically Constrained Lattice Model

Polymers ◽  
2019 ◽  
Vol 11 (3) ◽  
pp. 516 ◽  
Author(s):  
Eunsang Lee ◽  
YounJoon Jung
Keyword(s):  
Monte Carlo ◽  
Internal Structure ◽  
Lattice Model ◽  
Polymer Melts ◽  
Field Analysis ◽  
Einstein Relation ◽  
Slow Dynamics ◽  
Tree Model ◽  
Structure Relaxation ◽  
Ring Polymer

Abnormally slower diffusional processes than its internal structure relaxation have been observed in ring polymeric melt systems recently. A key structural feature in ring polymer melts is topological constraints which allow rings to assume a threading configuration in the melt phase. In this work, we constructed a lattice model under the assumption of asymmetric diffusivity between two threading rings, and investigated a link between the structural correlation and its dynamic behavior via Monte Carlo simulations. We discovered that the hierarchical threading configurations render the whole system to exhibit abnormally slow dynamics. By analyzing statistical distributions of timescales of threading configurations, we found that the decoupling between internal structure relaxation and diffusion is crucial to understand the threading effects on the dynamics of a ring melt. In particular, in the limit of small but threaded rings, scaling exponents of the diffusion coefficient D and timescale τ diff with respect to the degree of polymerization N agree well with that of the annealed tree model as well as our mean-field analysis. As N increases, however, the ring diffusion abruptly slows down to the glassy behavior, which is supported by a breakdown of the Stokes–Einstein relation.

Effects of chain stiffness and shear flow on nanoparticle dispersion and distribution in ring polymer melts

2020 ◽  
Vol 21 (3) ◽  
pp. 229-239
Author(s):  
Dan Wang ◽  
Feng-qing Li ◽  
Xiang-hong Wang ◽  
Shi-ben Li ◽  
Lin-li He
Keyword(s):  
Shear Flow ◽  
Polymer Melts ◽  
Nanoparticle Dispersion ◽  
Chain Stiffness ◽  
Ring Polymer

scholarly journals Thermodynamics and phase diagram calculation of the binary arsenic-tellurium system in the framework of the generalized lattice model

2021 ◽  
Vol 2052 (1) ◽  
pp. 012015
Author(s):  
N V Gerasimov ◽  
M A Zakharov
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Thermodynamic Parameters ◽  
Lattice Model ◽  
Binary Phase Diagram ◽  
Phase Diagram Calculation ◽  
Binary Phase ◽  
Good Agreement

Abstract In this work we describe how to efficiently calculate thermodynamic properties and T-x diagram of binary As-Te solution in the generalized lattice model. All the thermodynamic parameters of the As-Te solution are obtained within framework of the generalized lattice model. The binary phase diagram of As-Te system is calculated and good agreement with experimental data is obtained.

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