Electrically enhanced activity of cationic surfactant for the bubble surface modification of solvent sublation to remove acetaminophen from water

Ma, Shuren; Han, Yong; Zhang, Ying; Guo, Xiaoqiang; Jiao, Tifeng

doi:10.1016/j.molliq.2022.119700

Cited by 1 publication

(2 citation statements)

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“…The MD method has also demonstrated its ability to simulate the effect of an external electric field on water/mineral/gas interfaces. − Air flotation of hydrophobic particles immersed in saline solutions with different concentrations of NaCl and in the presence of an electric field shows that the latter would deteriorate the adhesion of bubbles to hydrophobic particles. The application of an external electric field could also lead to a reduction in the size of the bubbles, thus promoting better attachment of hydrophobic particles during flotation .…”

Section: Applications Of Molecular Modeling To Froth Flotationmentioning

confidence: 99%

“…The application of an external electric field could also lead to a reduction in the size of the bubbles, thus promoting better attachment of hydrophobic particles during flotation . Furthermore, the application of an electric field can weaken the restriction of the aqueous solvent on the surfactant (e.g., dodecyl trimethylammonium chloride, DTAC), reduce the surface tension, inhibit the coalescence of small bubbles, and thus promote the adsorption of DTAC at the gas–liquid interface . Controlling the direction of the electric field would also manipulate the distribution of the DTAC surfactant helping to improve the stability and adsorption capacity of the bubbles.…”

Section: Applications Of Molecular Modeling To Froth Flotationmentioning

confidence: 99%

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Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review

et al. 2023

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Froth flotation is the most versatile process in mineral beneficiation, extensively used to concentrate a wide range of minerals. This process comprises mixtures of more or less liberated minerals, water, air, and various chemical reagents, involving a series of intermingled multiphase physical and chemical phenomena in the aqueous environment. Today’s main challenge facing the froth flotation process is to gain atomic-level insights into the properties of its inherent phenomena governing the process performance. While it is often challenging to determine these phenomena via trial-and-error experimentations, molecular modeling approaches not only elicit a deeper understanding of froth flotation but can also assist experimental studies in saving time and budget. Thanks to the rapid development of computer science and advances in high-performance computing (HPC) infrastructures, theoretical/computational chemistry has now matured enough to successfully and gainfully apply to tackle the challenges of complex systems. In mineral processing, however, advanced applications of computational chemistry are increasingly gaining ground and demonstrating merit in addressing these challenges. Accordingly, this contribution aims to encourage mineral scientists, especially those interested in rational reagent design, to become familiarized with the necessary concepts of molecular modeling and to apply similar strategies when studying and tailoring properties at the molecular level. This review also strives to deliver the state-of-the-art integration and application of molecular modeling in froth flotation studies to assist either active researchers in this field to disclose new directions for future research or newcomers to the field to initiate innovative works.

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