Monte Carlo Simulations of Chain Dimensions and Conformational Properties of Various Poly(n-alkyl methacrylates) in Solution
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Cites background from "Monte Carlo Simulations of Chain Di..."
...Chain conformation in various acrylates and methacrylates has been studied using rotational isomeric states-Metropolis Monte Carlo, giving good agreement with experimentally measured values for properties such as radius of gyration [24, 59]....
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References
35,161 citations
"Monte Carlo Simulations of Chain Di..." refers methods in this paper
...In the RMMC method, the conformational states of the chains were generated using the Metropolis Monte Carlo method.[10] For polymer chains under θ conditions, the interactions between atoms far-separated along the chain effectively vanish....
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933 citations
"Monte Carlo Simulations of Chain Di..." refers methods in this paper
...Conformational energy calculations about various bond pairs of the repeat units were performed using the polymer-consistent-forcefield (PCFF),[8,9] which is well parameterized to work for polymethacrylates, among many other types of polymers....
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137 citations
"Monte Carlo Simulations of Chain Di..." refers background or methods in this paper
...Conformational energy calculations about various bond pairs of the repeat units were performed using the polymer-consistent-forcefield (PCFF),[8,9] which is well parameterized to work for polymethacrylates, among many other types of polymers....
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...According to Flory,[9] if nonbonded interactions are extended to second-order interactions, this is considered the θ state of a polymer chain....
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129 citations
"Monte Carlo Simulations of Chain Di..." refers methods in this paper
...These studies include, for example, atactic poly(methyl acrylate)[20,21] using Monte-Carlo chains[21] with a Bernoullian distribution of meso and racemic dyads; atactic poly(cyclohexyl acrylate)[22] with Bernoullian distribution of dyads using Monte Carlo chain generation; atactic poly(phenyl acrylate) and its model compound phenyl ester of 2,4-dimethyl glutaric acid[23,24]; isotactic-PMMA[25,26]; atactic PEMA[27]; and atactic poly(n-alkyl methacrylates) [PMMA, PEMA, and poly(isopropyl methacrylate) having specified meso-racemic dyad ratios]....
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