Monte Carlo simulation on the adsorption of polymer chains on polymer brushes
نویسندگان
چکیده
منابع مشابه
Monte Carlo simulation of polymer adsorption
We developed and employed the incremental gauge cell method to calculate the chemical potential (and thus free energies) of long, flexible homopolymer chains of Lennard-Jones beads with harmonic bonds. The free energy of these chains was calculated with respect to three external conditions: in the zero-density bulk limit, confined in a spherical pore with hard walls, and confined in a spherical...
متن کاملHybrid Monte Carlo Simulation of Polymer Chains
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with shortor long-range self-repulsion, using chains with 16 ≤ N ≤ 512 monomers. Without excessive fine tuning, we find that the computational cost grows ...
متن کاملMonte Carlo simulations of polymer brushes.
Three-dimensional Monte Carlo simulations of flexible and semiflexible polymer brushes at various grafting densities are carried out to study their equilibrium structure and attendant properties by using the bond fluctuation model. Our simulation results of long flexible polymer brushes are, in general, consistent with predictions of the self-consistent field theory. However, a depletion layer ...
متن کاملParallel Computing of Polymer Chains Based on Monte Carlo Method
Computer simulation of polymer chain is carried out by Monte Carlo method in this paper. The properties of polymer chain are simulated by self avoiding walk and bond fluctuation model. The parallel computing model is established to solve the physical problems of the polymer chains. We analyze the algorithms for polymer chains to parallel computing at high performance computing center. Gustafson...
متن کاملMonte Carlo Simulation of Lattice Polymer Models
Polymers are substances whose molecules have high molar masses and are composed of a large number of repeating units. They occur naturally, and are also produced in large quantities. The materials commonly called plastics are all synthetic polymers. Polymers consist of a large number of units called monomers, which are joined sequentially to form a long chain. Perhaps the simplest polymer is po...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Physica Sinica
سال: 2020
ISSN: 1000-3290
DOI: 10.7498/aps.69.20200411