Mechanism of Sorption Interaction between L-Alanine and Carbon Nanotubes

被引：1

作者：

Butyrskaya, E. V. ^{[1
]}

Zapryagaev, S. A. ^{[1
]}

Izmailova, E. A. ^{[1
]}

Selemenev, V. F. ^{[1
]}

机构：

[1] Voronezh State Univ, Voronezh 394018, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2019年 / 93卷 / 04期

关键词：

carbon nanotubes; L-alanine; sorption; AMINO-ACID; ADSORPTION; ENCAPSULATION;

D O I：

10.1134/S0036024419040071

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A complex consisting of a model carbon nanotube and L-alanine located on its outer side surface, inside it, and at its end is simulated by quantum-chemical means using density functional theory, including dispersion corrections. The mechanism of interaction between amino acids and nanotubes is analyzed, and the energies of the van der Waals interactions in the sorbent-sorbate are assessed. Adsorption isotherms of L-alanine on MKN-MWCNT-P5000 multi-walled carbon nanotubes (Canada) from aqueous solution are constructed and explained.

引用

页码：710 / 716

页数：7

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