- Tytuł:
- 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 - Powiązania:
- https://bibliotekanauki.pl/articles/109736.pdf
- Data publikacji:
- 2019
- Wydawca:
- Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
- Tematy:
-
α-quartz
molecular dynamic
2-((2-(decyloxy)ethyl)amino)lauric acid
flotation mechanism - Opis:
- Adsorption mechanism of a novel amphoteric collector 2-((2-(decyloxy)ethyl)amino)lauric acid (CH<3>dolny(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.
- Źródło:
-
Physicochemical Problems of Mineral Processing; 2019, 55, 5; 1209-1216
1643-1049
2084-4735 - Pojawia się w:
- Physicochemical Problems of Mineral Processing
- Dostawca treści:
- Biblioteka Nauki
Artykuł