Adsorption of methylamine cations on kaolinite basal surfaces : A DFT study

• Autorzy: Chen Jun , Min Fan-fei , Liu Ling-yun , Jia Fei-fei

Identyfikatory

DOI

10.37190/ppmp19101

• Języki publikacji: EN

Abstrakty

EN

To explore the interaction of alkylamine surfactants with kaolinite, the density functional theory (DFT) method was used to calculate the single adsorption of different methylamine cation on kaolinite basal surfaces and the competitive adsorption of methylamine cation and water molecule on kaolinite basal surfaces, respectively. Different methylamine cations can adsorb on kaolinite basal surfaces by electrostatic interaction and hydrogen bonds, and the methylamine cations more easily adsorbed on kaolinite Si-O surface. In the case of competitive adsorption with water molecule, the methylamine cation is capable of flushing out the surrounding water molecule to get rid of its steric effect and stably adsorbing on kaolinite basal surfaces, and the adsorption state of the competitive adsorption system is more stable. The adsorption mechanism of methylamine cation on kaolinite basal surface should be the result of electrostatic interaction and hydrogen bonds, and the electrostatic interaction plays the main role.

Słowa kluczowe

EN

kaolinite; methylamine cations; density functional theory; competitive adsorption; adsorption mechanism

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Physicochemical Problems of Mineral Processing
• Rocznik: 2020
• Tom: Vol. 56, iss. 2
• Strony: 338--349
• Opis fizyczny: Bibliogr. 47 poz., tab., wykr.

Twórcy

autor

Chen Jun

• State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines (Anhui University of Science and Technology), Huainan 232001, China
• Department of Materials Science and Engineering, Anhui University of Science and Technology, Huainan 232001, China
• Key Laboratory of Coal Processing and Efficient Utilization, Ministry of Education, Xuzhou 221116, China

autor

Min Fan-fei

• State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines (Anhui University of Science and Technology), Huainan 232001, China
• Department of Materials Science and Engineering, Anhui University of Science and Technology, Huainan 232001, China

autor

Liu Ling-yun

• State Key Laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines (Anhui University of Science and Technology), Huainan 232001, China
• Department of Materials Science and Engineering, Anhui University of Science and Technology, Huainan 232001, China

autor

Jia Fei-fei

• School of Resources and Environmental Engineering, Wuhan University of Technology, 122 Luoshi Road, Wuhan, Hubei, 430070, China

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