Masters Theses

Date of Award

12-1981

Degree Type

Thesis

Degree Name

Master of Science

Major

Chemistry

Major Professor

Jeffrey D. Kovac

Committee Members

James Q. Chambers,

Abstract

The relaxation and the equilibrium behavior of lattice model polymers chains were simulated using a highspeed digital computer. Results of the behavior of the autocorrelation function, average relaxation times and chain dimensions are presented for chains of 8, 16, and 32 beads in length. For each length, five models were run. Of the five models one was without the excluded volume condition. The remaining models employed a number of orders of motions along with excluded volume. Of these four models one employed pure first order motions, and another used first and second order motions. The fourth model made use of only first and third order motions while model five employed all of the afore mentioned motions.

The model without excluded volume behaves similarly to the Rouse model. Excluded volume greatly increased the relaxation times. Inclusion of second order motions subtantially decrease the relaxation times of the model with excluded volume. Third order motions do not seem to contribute to relaxation though there is a small contribution in increasing chain dimensions. The scaling of relaxation times and chain dimensions are calculated by extracting the slope of 1n-ln plots of relaxation time versus N and 2> versus N.

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