The behavior of three-dimensional bond fluctuation model chains tethered on an adsorbing fiat surface was simulated by the Monte Carlo method.The dependence of the number of surface contacts M on the interaction stren...The behavior of three-dimensional bond fluctuation model chains tethered on an adsorbing fiat surface was simulated by the Monte Carlo method.The dependence of the number of surface contacts M on the interaction strengthεand the chain length N was investigated by a finite-size scaling law M = N;[a;+a;N;κ+ O((N;κ);)]forεnear the critical adsorption pointε;,i.e.,κ=（ε-ε;）/ε;closes to 0.The critical adsorption point was estimated to beε;=0.93,and the exponentsφ= 0.49 and l/v= 0.57.展开更多
Three-dimensional Monte Carlo simulations of comb-like polymer chains with various backbone lengths Nb, arm lengths Na and arm densities m are carried out to study the elastic behavior of comb-like polymer chains. The...Three-dimensional Monte Carlo simulations of comb-like polymer chains with various backbone lengths Nb, arm lengths Na and arm densities m are carried out to study the elastic behavior of comb-like polymer chains. The radius of gyration, the shape factors and bond length in different cases during elastic process are calculated, and it is found that the comb-like polymer molecules with longer backbone or shorter arm are more close to linear chains. But the arm density rn affects the chain conformation non-monotonously. Some thermodynamic properties are also studied. Average Helmholtz free energy and elastic force fall increase with elongation ratio 2 for all chains.展开更多
基金supported by the National Natural Science Foundation of China (No.20674074).
文摘The behavior of three-dimensional bond fluctuation model chains tethered on an adsorbing fiat surface was simulated by the Monte Carlo method.The dependence of the number of surface contacts M on the interaction strengthεand the chain length N was investigated by a finite-size scaling law M = N;[a;+a;N;κ+ O((N;κ);)]forεnear the critical adsorption pointε;,i.e.,κ=（ε-ε;）/ε;closes to 0.The critical adsorption point was estimated to beε;=0.93,and the exponentsφ= 0.49 and l/v= 0.57.
基金supported by the National Natural Science Foundation of China(No.20704033)
文摘Three-dimensional Monte Carlo simulations of comb-like polymer chains with various backbone lengths Nb, arm lengths Na and arm densities m are carried out to study the elastic behavior of comb-like polymer chains. The radius of gyration, the shape factors and bond length in different cases during elastic process are calculated, and it is found that the comb-like polymer molecules with longer backbone or shorter arm are more close to linear chains. But the arm density rn affects the chain conformation non-monotonously. Some thermodynamic properties are also studied. Average Helmholtz free energy and elastic force fall increase with elongation ratio 2 for all chains.
