| 摘要 |
PROBLEM TO BE SOLVED: To provide a method of previously estimating the adding effects of various elements on gas adsorbing capability before actually manufacturing an other element added carbon nanotube and measuring the gas adsorbing capability. SOLUTION: The method of estimating the effects of other elements added to the carbon nanotube on improving the gas adsorbing capability uses a structure model having atoms of the added element Me and the molecules or atoms of adsorbed object gas G arranged near a benzene ring numbered body CxHy for finding charges caused in each of the benzene ring numbered body CxHy, the added element Me and the adsorbed object gas G by the interaction among these and joining force working each between the benzene ring numbered body CxHy and the added element Me and between the added element Me and the adsorbed object gas G from quantum mechanic calculation. In accordance with the codes and absolute values of the charges and the joining force, the effects of the added element on improving the gas adsorbing capability are estimated. COPYRIGHT: (C)2004,JPO
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