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Models Used in Monte Carlo Simulations of Polymers

6 Models Used in Monte Carlo Simulations of Polymers [Pg.423]

A polymer is a macromolecule that is constructed by chemically linking together a sequence of molecular fragments. In simple synthetic polymers such as polyethylene or polystyrene all of the molecular fragments comprise the same basic unit (or monomer). Other polymers contain mixtures of monomers. Proteins, for example, are polypeptide chains in which each umt is one of the twenty amino acids. Cross-linking between different chains gives rise to yet further variations in the constitution and structure of a polymer All of these features may affect the overall properties of the molecule, sometimes in a dramatic way Moreover, one [Pg.423]

Fig 8 7 Cubic and tetrahedral (diamond) lattices, which are commonly used for lattice simulations of polymers [Pg.425]

9- In a random walk on a square lattice the chain can cross itself. [Pg.426]

The radius of g3rration is another commonly calculated property this is the root mean squcure distance of each atom (or monomer) from the centre of mass. For the random walk model the radius of gyration (s ) is given in the asymptotic limit by  [Pg.426]




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Carlo Modeling

Carlo simulation

In simulations

Modeling Monte Carlo

Modeling, use

Modelling of polymers

Monte Carlo modelling

Monte Carlo models

Monte Carlo simulation

Monte Carlo simulation polymers

Monte simulations

Simulant modeling

Simulated model

Simulated modeling

Simulations polymers

Use in polymers

Use of polymers

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