关键词: 十二烷基磺酸钠, 红柱石, 化学吸附, 量子化学, 红外光谱

Abstract: Through quantum chemistry calculation method of absorption model, and in combination with the infrared spectrum analysis on the actual adsorption complex, the interaction mechanism between the sodium dodecyl sulfonate (SDS) and andalusite was investigated.The calculation results showed that the ion of sodium dodecyl sulfonate acted with the andalusite, resulting in the chemical adsorption.Moreover, the ion of sodium dodecyl sulfonate will be adsorbed optimally on the Al atom labeled 11.During the adsorption process, the electron from the Al atom on the surface of andalusite (001) will transfer to the O atom of SDS ion.The infrared spectrum analysis showed that aluminum dodecyl sulfonate was found on the absorption compound, thus verifying the results of quantum chemistry calculations.

Key words: Sodium dodecyl sulfonate (SDS), Andalusite, Chemical adsorption, Quantum chemistry, FTIR