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Continuous Self-Avoiding Walk with Application to the Description of Polymer Chains

Li, Youyong and Goddard, William A., III (2006) Continuous Self-Avoiding Walk with Application to the Description of Polymer Chains. Journal of Physical Chemistry B, 110 (37). pp. 18134-18137. ISSN 1520-6106. doi:10.1021/jp064374b.

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We develop the continuous self-avoiding walk (CSAW) methodology for investigating temperature dependent thermodynamic properties of finite polymer chains without imposing a lattice. This leads to a new concept:  the free energy theta temperature, T_(θF), at which the free energy is proportional to chain length. Above T_(θF), the polymer chain-solvent mixture leads to a single phase, whereas below T_(θF) the polymer solvent system has a positive surface tension with a tendency to phase separation to form a globular phase. For finite chains this coil-globule transition lies above the geometric theta temperature at which the distribution describes a Gaussian coil. CSAW provides the basis for a new approach to predict globular properties of real polymers.

Item Type:Article
Related URLs:
URLURL TypeDescription
Li, Youyong0000-0002-5248-2756
Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2006 American Chemical Society. Received 11 July 2006. Published online 26 August 2006. Published in print 1 September 2006. We thank Dr. Jiro Sadanobu (Teijin) and Prof. Zhen-Gang Wang (Caltech) for helpful discussions. This research was initiated with support from ARO-MURI (DAAG55-97-1-0126) and completed with support from DARPA-PROM (ONR N00014-02-1-0839).
Funding AgencyGrant Number
Army Research Office (ARO)DAAG55-97-1-0126
Office of Naval Research (ONR)N00014-02-1-0839
Defense Advanced Research Projects Agency (DARPA)UNSPECIFIED
Issue or Number:37
Record Number:CaltechAUTHORS:20170609-083755646
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Official Citation:Continuous Self-Avoiding Walk with Application to the Description of Polymer Chains Youyong Li and William A. Goddard, III The Journal of Physical Chemistry B 2006 110 (37), 18134-18137 DOI: 10.1021/jp064374b
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78046
Deposited By: Ruth Sustaita
Deposited On:09 Jun 2017 16:20
Last Modified:15 Nov 2021 17:36

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