2012Chemeca 2012: Quality of life through chemical engineering: 23-26 September 2012, Wellington, New ZealandRequires access

Surface potential of methyl isobutyl carbinol adsorption layer at the air/brine interface: A molecular dynamics study

CV Nguyen, CM Phan, H.M. Ang

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Abstract

Alcohols, including branched and straight ones, have been used extensively in industrial processes to enhance the interface effect. Amongst these, methyl isobutyl carbinol (MIBC) is particularly popular due to the superior performance in mineral flotation. The interfacial behavior of MIBC at the air/liquid interface has been investigated employing foaminess, thin aqueous film and zeta-potential. Recently, the surface potential (_V), which is a fundamental factor influencing the double-layer force and disjoining pressure, was investigated by ionizing 241 Am electrode. In this study, molecular dynamics (MD) simulation was employed to calculate the surface tension and surface potential of MIBC at different surface concentrations. The simulation results were consistent with experimental data. The study highlights the significant role of interaction between water and alcohol molecules at the interface, which is often overlooked by conventional theory.

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What this paper is about

Alcohols, including branched and straight ones, have been used extensively in industrial processes to enhance the interface effect. Amongst these, methyl isobutyl carbinol (MIBC) is particularly popular due to the superior performance in mineral flotation. The interfacial behavior of MIBC at the air/liquid interface has been investigated employing foaminess, thin aqueous film and zeta-potential. Recently, the surface potential (_V), which is a fundamental factor influencing the double-layer force and disjoining pressure, was investigated by ionizing 241 Am electrode. In this study, molecular dynamics (MD) simulation was employed to calculate the surface tension and surface potential of MIBC at different surface concentrations. The simulation results were consistent with experimental data. The study highlights the significant role of interaction between water and alcohol molecules at the interface, which is often overlooked by conventional theory.

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Available abstract

Alcohols, including branched and straight ones, have been used extensively in industrial processes to enhance the interface effect. Amongst these, methyl isobutyl carbinol (MIBC) is particularly popular due to the superior performance in mineral flotation. The interfacial behavior of MIBC at the air/liquid interface has been investigated employing foaminess, thin aqueous film and zeta-potential. Recently, the surface potential (_V), which is a fundamental factor influencing the double-layer force and disjoining pressure, was investigated by ionizing 241 Am electrode. In this study, molecular dynamics (MD) simulation was employed to calculate the surface tension and surface potential of MIBC at different surface concentrations. The simulation results were consistent with experimental data. The study highlights the significant role of interaction between water and alcohol molecules at the interface, which is often overlooked by conventional theory.

Key concepts: Disjoining pressure, Adsorption, Surface tension, Molecular dynamics, Zeta potential, Aqueous solution, Surface pressure, Chemistry

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