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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 19, Number 5
BKCSDE 19(5)
May 20, 1998 

A Monte Carlo Simulation Incorporated with Genetic Algorithm for the Transition Deposition of LB Film of Fatty Acid
Jeong-Woo Choi*, Kyung Sang Cho, Won Hong Lee, Sang Baek Lee, Han Sup Lee
A Monte Carlo simulation incorporated with the genetic algorithm is presented to describe the defect known as "transition from Y-to X-type deposition" of the cadmium arachidate Langmuir-Blodgett multilayer film. Simulation is performed based on the detachment models of XY-type deposition. The transition is simulated by introducing a probability of surface molecule detachment considering interaction between neighboring molecules. The genetic algorithm is incorporated into Monte Carlo simulation to get the optimum value of the probability factors. The distribution of layers having different thickness predicted by the simulation correlates well with the measured distribution of thickness using the small-angle X-ray reflectivity. The effect of chain length and subphase temperature on the detachment probability are investigated using the simulation. Simulation results show that an increase (or a decrease) of two hydrocarbon chain is roughly equivalent to the detachment probability to a temperature decrease (or increase) of 15 K.
544 - 548
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