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. https://resolver.caltech.edu/CaltechAUTHORS:20170609-083755646
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Abstract
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.
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| 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). | |||||||||
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| Issue or Number: | 37 | |||||||||
| DOI: | 10.1021/jp064374b | |||||||||
| Record Number: | CaltechAUTHORS:20170609-083755646 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20170609-083755646 | |||||||||
| 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 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Ruth Sustaita | |||||||||
| Deposited On: | 09 Jun 2017 16:20 | |||||||||
| Last Modified: | 15 Nov 2021 17:36 |
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