Van, K.
and Douglas, J.
(2004),
Monte Carlo Simulations of the Equilibrium Polymerization in the Stockmayer Model, Sigma Xi Postdoctoral Poster Presentations, 2004
(Accessed May 11, 2025)
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Monte Carlo Simulations of the Equilibrium Polymerization in the Stockmayer Model
Published
Author(s)
,
Abstract
We investigate the relationship between the thermodynamic properties and the physical structure of the Stockmayer fluid in the regime of strong association. We utilize parallel tempering Monte Carlo methods to determine the location of unassociated monomer and polymeric structures in the gas phase under thermodynamic conditions above the critical point for phase separation. These polymer structures are dynamic in both their degree of association and internal configuration; the spatial extend of the polymers grow upon lowering the temperature. The transition temperature is indicated by a broad peak in the constant-volume heat capacity and by a relatively flattened region in the pressure-volume isotherms.Proceedings Title
Sigma Xi Postdoctoral Poster Presentations, 2004
Conference Dates
February 19-20, 2004
Pub Type
Conferences
Keywords
equilibrium, Monte Carlo, polymerization, Stockmayer
Citation
Issues
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Created February 1, 2004, Updated February 17, 2017