Abstracts of annual meeting of The Clay Science Society of Japan
Online ISSN : 2433-0582
Print ISSN : 2433-0566
ISSN-L : 2433-0566
53rd Annual Meeting of The Clay Science Society of Japan
Session ID : B23
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Host: The Clay Science Society of Japan

Simulation of the charge distribution on the clay surface and adsorption behavior with all-atoms
*Hiroshi Tachibana, Shinsuke Takagi, Haruo Inoue
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Abstract
We made a computer program, which calculate the adsorption behavior of cationic porphyrins on the anionic clay surface. The clay charge was calculated from all-atom charges. The interaction between the clay and the porphyrin was calculated from coulomb interaction.
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© 2009 The Clay Science Society of Japan
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