Abstract
Behaviors of nonionic-anionic surfactant sodium fatty Alcohol polyoxyethylene Ether Carboxylate (AEC) at dodecane/water interface influenced by inorganic salts NaCl, CaCl 2 and MgCl2 were investigated by interfacial tension methods and molecular dynamics simulation. Contrasted distributions of various salts at interface and in aqueous solutions and resulting lowering the interfacial tension have been observed. Composition of surfactants- salts complex at interface surrounding different cations within 2.5 A were found to be in two categories: (i) the octahedral complexation of divalent cation was generated by the participation of surfactant head group and water molecule, (ii) only water molecules were involved in the complexation. According to the simulation results, all the Na + involved in type ii, without any direct interaction with surfactant head group, while Ca 2+ and Mg 2+ involved in type I, following the formula: Ca+ + 4 (surfactant) + 2 (H2O) ⇄ (Ca (surfactant) 4 (H2O) 2) 2+ , Mg 2+ + (surfactant) + 5 (H2O) ⇄ (Mg (surfactant) (H2O) 5) 2+ . This strongly chelate interaction between Ca 2+ and
Highlights
The adsorption of surfactant at the liquid/liquid surface, along with the resulting lowering of the interfacial tension, plays a critical role in many technological and industrial processes, such as dispersion/flocculation, detergency and enhanced oil recovery
The liquid/liquid interfacial tension has been measured by conventional methods and the details of Alcohol polyoxyethylene Ether Carboxylate (AEC) adsorption layer influenced by inorganic salts NaCl, CaCl2 and MgCl2 was investigated by molecular dynamics simulation using a full-atom model
The effect of NaCl, MgCl2 and CaCl2 on the properties of nonionic-anionic surfactant AEC at dodecane/water interfaces are investigated by experimental methods and computer simulation
Summary
The adsorption of surfactant at the liquid/liquid surface, along with the resulting lowering of the interfacial tension, plays a critical role in many technological and industrial processes, such as dispersion/flocculation, detergency and enhanced oil recovery. The liquid/liquid interfacial tension has been measured by conventional methods and the details of AEC adsorption layer influenced by inorganic salts NaCl, CaCl2 and MgCl2 was investigated by molecular dynamics simulation using a full-atom model. The maximum adsorption area data of surfactants at air/water interface was obtained from surface tension curve measured by kruss K100 tensionmeter.
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