| 摘要 |
<p><P>PROBLEM TO BE SOLVED: To provide an analysis method of molecular contaminants, which is capable of deriving a relational expression between an exposure time and an adsorption amount under a condition of a low concentration of molecular contaminants in the air. <P>SOLUTION: An adsorption amount in a prescribed concentration in the air and for a prescribed exposure time is actually measured, and an equilibrium adsorption amount is analyzed by molecular simulation. These values are substituted into an adsorption velocity expression to calculate an adsorption velocity constant. This calculation is performed a plurality of times while changing the prescribed concentration in the air. According to the result of the above procedures, the correlational expression between the concentration in the air and the adsorption velocity constant is obtained. Meanwhile, a calculation pressure and a calculation temperature are substituted into the molecular simulation to analyze the equilibrium adsorption amount and adsorption energy. These values are substituted into the Clausius-Clapeyron equation to calculate pressure at a prescribed temperature, and the pressure is converted to a concentration. This calculation is performed a plurality of times while changing the calculation temperature. Thus an approximate relational expression between the concentration in the air and the equilibrium adsorption amount is obtained. An adsorption velocity constant and an equilibrium adsorption amount under a condition of a low concentration in the air are calculated by these expressions and are substituted into the adsorption velocity expression to derive the relational expression between the exposure time and the adsorption amount. <P>COPYRIGHT: (C)2008,JPO&INPIT</p> |
