METHOD OF SEARCHING LIQUID REPELLENT CAPSULE, SIMULATION METHOD FOR PREDICTING LIQUID REPELLENT PROPERTY OF CAPSULE, AND SIMULATION PROGRAM

摘要

PPROBLEM TO BE SOLVED: To provide a method of searching a liquid repellent capsule, a simulation method for predicting the liquid repellent property of a capsule, and a simulation program for performing simulation on a computer. PSOLUTION: The method of searching the liquid repellent capsule has: a step for preparing the initial state of a solid-gas model, which has a solid substrate and gas molecules, and/or a solid-liquid interface model, which has the solid substrate and liquid molecules; a step for calculating the adsorption energy of the gas molecules or the liquid molecules to the solid substrate in the initial state of the solid-gas model and/or the solid-liquid interface model by using a molecular dynamics method and/or molecular orbital method; a step for analyzing the calculated result of the initial state; a step for determining whether or not the liquid repellent property of the solid-gas model and/or the solid-liquid interface model is good, on the basis of the analysis of the calculated resu and a step for selecting the solid-gas model and/or the solid-liquid interface model as a model having an optimum liquid repellent capsule, on the basis of the determination. PCOPYRIGHT: (C)2010,JPO&INPIT