First-Order Transition of a Nanoscale Heteropolymer Chain with Lennard-Jones Potential

被引：0

作者：

Jalbout, Abraham F. ^{[1
]}

de Leon, Aned ^{[1
]}

机构：

[1] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico

来源：

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2009年 / 6卷 / 01期

关键词：

Heteropolymer; Monte Carlo Simulations; Lennard-Jones; Liquid; Phase Transition; SINGLE HOMOPOLYMER CHAIN; MOLTEN GLOBULE STATE; RESOLUTION; BINDING; COMPLEX; MODEL;

D O I：

10.1166/jctn.2009.1032

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The thermodynamic properties of a 30 mer nanoscale heteropolymer chain were calculated with a Lennard-Jones (LJ) potential. A first order liquid to solid phase transition was observed as the final result of our calculations, with a minimum energy state at around -335 (reduced units) and a maximum energy state at around -194 (reduced units).

引用

页码：231 / 232

页数：2

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