Monte Carlo simulation of polymers within a lattice

Erin N. Sawardecker, Marta Sales-Pardo, Luis A N Amaral

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Polymers are a highly interesting topic which is applicable to many fields such as nucleic acid chain studies, biological materials, plastics, and textiles. Although experimental studies are relevant for polymer systems, real polymers require computational models to fully characterize the complicated behavior. In oder to create a valid, accurate computational model, the model must be both ergodic and able to reproduce the dynamic properties of the system. With these points in mind, a lattice model was created so that different polymer movement algorithms could be tested. These algorithms include local as well as global rules of motion with the intent of exploring the entire phase space, thus making the equilibrium property estimations more accurate. Once the rules of motion are incorporated into the model, the equilibrium properties can be compared to other models which investigate the same properties for a polymer system.

Original languageEnglish (US)
Title of host publication05AIChE
Subtitle of host publication2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings
Number of pages1
StatePublished - Dec 1 2005
Event05AIChE: 2005 AIChE Annual Meeting and Fall Showcase - Cincinnati, OH, United States
Duration: Oct 30 2005Nov 4 2005

Other

Other05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period10/30/0511/4/05

ASJC Scopus subject areas

  • Engineering(all)

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