Molecular dynamic simulations study of 2-((2- (decyloxy)ethyl)amino)lauric acid adsorption on the α-quartz (1 0 1) surface

• Autorzy: Luo Binbin , Zhu Yimin , Sun Chuanyao , Li Yanjun , Han Yuexin

Identyfikatory

DOI

10.5277/ppmp19042

• Języki publikacji: EN

Abstrakty

EN

Adsorption mechanism of a novel amphoteric collector 2-((2-(decyloxy)ethyl)amino)lauric acid (CH₃(CH₂)₉CH(NH(CH₂)₃-O-(CH₂)₉CH₃)COOH, LDEA) on the α-quartz (1 0 1) surface has been investigated through molecular dynamic (MD) simulation calculations at a molecular level. The adsorption process showed that the LDEA collector could be adsorbed onto α-quartz’s (1 0 1) surface as the H atom in the polar carboxyl and amino functional group of the collector moved closer to the O atom of quartz (1 0 1) surface. The interaction energies of the collector LDEA molecule and its ionic derivative species on α-quartz surfaces in vacuum and aqueous solutions are in the order of pH 4 < pH 12 < in vacuum < pH 10 < pH 6, which demonstrating that the α-quartz (1 0 1) surface could absorb the collector LDEA in the forms of electrostatic and hydrogen bonding interactions. It also reveals that the optimal pulp pH range for LDEA adsorption on α-quartz’s surface is between neutral and weak alkali environment (pH 6 - 10). The trend obtained from molecular modeling has been validated by microflotation studies on quartz at different pHs.

Słowa kluczowe

EN

α-quartz; molecular dynamic; 2-((2-(decyloxy)ethyl)amino)lauric acid; flotation mechanism

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Physicochemical Problems of Mineral Processing
• Rocznik: 2019
• Tom: Vol. 55, iss. 5
• Strony: 1209--1216
• Opis fizyczny: Bibliogr. 26 poz., rys., tab., wykr., wz.

Twórcy

autor

Luo Binbin

• College of Resource and Civil Engineering, Northeastern University, Shenyang 110819, PR China
• Department of Chemical and Materials Engineering, University of Alberta, Edmonton T6G 1H9, Canada

autor

Zhu Yimin

• College of Resource and Civil Engineering, Northeastern University, Shenyang 110819, PR China

autor

Sun Chuanyao

• Beijing General Research Institute of Mining and Metallurgy, Beijing100044, PR China

autor

Li Yanjun

• College of Resource and Civil Engineering, Northeastern University, Shenyang 110819, PR China

autor

Han Yuexin

• College of Resource and Civil Engineering, Northeastern University, Shenyang 110819, PR China

Bibliografia

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Uwagi

Opracowanie rekordu ze środków MNiSW, umowa Nr 461252 w ramach programu "Społeczna odpowiedzialność nauki" - moduł: Popularyzacja nauki i promocja sportu (2020).