Publication | Closed Access
Simulation of Lattice Dendrimers by a Monte Carlo Technique with Detailed Balance
41
Citations
23
References
2002
Year
EngineeringMaterial SimulationComputational ChemistryStatistical Field TheoryLattice Dendrimer ModelDetailed BalanceNumerical SimulationLattice DendrimersBiophysicsPhysicsMonte CarloPhysical ChemistryNatural SciencesParticle PhysicsApplied PhysicsMonte Carlo MethodLattice Field TheoryMonte Carlo TechniqueNeutron Scattering
We have published extensively on a lattice dendrimer model whose properties were simulated by a Monte Carlo technique. However, it has recently been pointed out that the simulation technique violated detailed balance and that the ensuing errors, at least for dendrimers without excluded volume, were relatively large. In this contribution we show how the technique can be efficiently modified to satisfy detailed balance, and we report results on dendrimers as high as G = 11. When applied to dendrimers with excluded volume, we find that the older technique generates only relatively small errors, and we are therefore confident that our previous results are qualitatively valid. We also discuss our model in light of recent neutron scattering studies concerned with the distribution of end groups.
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