A Quantitative Structure-Property Relationship Study of the Adsorption of Amino Acids on Kaolinite Surfaces
2018 ◽
Vol 3
(2)
◽
pp. 21-35
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Keyword(s):
This article describes how the adsorption behaviors of various kinds of amino acids onto kaolinite surfaces were investigated by the quantum-chemical calculations and the quantitative structure-property relationships (QSPR). The QSPR results revealed that both adsorption energies of amino acids on tetrahedral Si-O and octahedral Al-O surfaces were mainly affected by the chemical potential and the negative of maximum negative charges of amino acids, which represent the electron flow and the hydrogen bonding between adsorbent-adsorbate interactions. The dispersion and polarization play a minor role in the amino acids adsorption on tetrahedral Si-O and octahedral Al-O surfaces, respectively.
1999 ◽
Vol 39
(1)
◽
pp. 7-16
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2003 ◽
Vol 38
(7-8)
◽
pp. 787
2001 ◽
Vol 41
(2)
◽
pp. 408-418
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2019 ◽
Vol 97
(10)
◽
pp. 1125-1132
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2019 ◽
Vol 4
(1)
◽
pp. 67-87