Volume 8 Number 12 ( Dec. 2013)
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JSW 2013 Vol.8(12): 3200-3205 ISSN: 1796-217X
doi: 10.4304/jsw.8.12.3200-3205

A Scaling Algorithm of Self-avoiding Chain Adsorbed on the Surface

He-Bei Gao1, Zhi-Yang Gu1, Rui Zhong2, Chang-Ji Qian2, Hong Li2, Bin Gong3
1Department of Computer Science, Wenzhou Vocational and Technical College, Wenzhou, China
2Department of Computer, Wenzhou University, Wenzhou, China
3School of Computer Science and Technology, Shandong University, Jinan, China

Abstract—A single polymer chain with one end tethered to an impenetrable flat surface is simulated by using Monte Carlo simulation method. The polymer chain is generated using self-avoiding walk method in the simple cubic lattice. The monomer does Brownian motion by the bondfluctuation method in the simulation. After a long Monte Carlo step, the conformation of the chain reaches equilibrium. There is a scaling relation between the surface contact number M and the chain length N at the critical adsorption temperature Tc. The scaling algorithm is presented to determine the critical adsorption point Tc by the variance between the interpolation value and the curve fitting value. The dependence of the surface contact number M on the chain length N is presented near the critical adsorption point Tc by two critical exponents φ and δ. The results provide a new efficient method to locate the critical adsorption point and to find out the critical exponents.

Index Terms—simulation, chain, critical adsorption, scaling method.


Cite: He-Bei Gao, Zhi-Yang Gu, Rui Zhong, Chang-Ji Qian, Hong Li, Bin Gong, "A Scaling Algorithm of Self-avoiding Chain Adsorbed on the Surface," Journal of Software vol. 8, no. 12, pp. 3200-3205, 2013.

General Information

ISSN: 1796-217X (Online)
Frequency: Monthly
Editor-in-Chief: Prof. Antanas Verikas
Executive Editor: Ms. Yoyo Y. Zhou
Abstracting/ Indexing: DBLP, EBSCO, ProQuest, INSPEC, ULRICH's Periodicals Directory, WorldCat, CNKI,etc
E-mail: jsw@iap.org
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