2021
DOI: 10.1016/j.ces.2021.116850
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Synergetic adsorption of asphaltenes and oil displacement surfactants on the oil-water interface: Insights on stabilization mechanism of the interfacial film

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Cited by 19 publications
(6 citation statements)
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“…The larger the absolute value, the lower the interfacial tension. The calculation formula is as follows IFE = E t false( n E S D S + E a i r w a t e r false) n where E t is the total energy of the kinetic equilibrium system, kJ/mol; n is the number of gas–liquid interface surfactants SDS, pcs; E SDS is the energy contained in one SDS molecule, kJ/mol; and E air–water is the total energy of the gas–liquid system without SDS, kJ/mol.…”
Section: Resultsmentioning
confidence: 99%
“…The larger the absolute value, the lower the interfacial tension. The calculation formula is as follows IFE = E t false( n E S D S + E a i r w a t e r false) n where E t is the total energy of the kinetic equilibrium system, kJ/mol; n is the number of gas–liquid interface surfactants SDS, pcs; E SDS is the energy contained in one SDS molecule, kJ/mol; and E air–water is the total energy of the gas–liquid system without SDS, kJ/mol.…”
Section: Resultsmentioning
confidence: 99%
“…However, as the number of SDBS molecules continued to increase, the thickness of the cross-link structure decreased and “micelles” began to form (Figure e). This indicated that a critical micelle concentration (CMC, 400–1000 mg/L, varying with the properties of the solution) was reached. , Meanwhile, the interfacial thickness of the system is calculated based on the density distribution data, which is considered to be an important indicator of the natural interface . The total thickness at the interface is defined according to the “90–90%” principle which refers to the distance between the point on the water density curve equal to 90% of the water density in the bulk phase and 90% of the point on the oil density curve .…”
Section: Resultsmentioning
confidence: 99%
“…Then, the boxes were assembled by using the Build Layers tool. After geometric optimization and annealing of the combined interface model, the dynamic balance of the model was 1500 ps under the NVT regular ensemble, , the simulated time step was 1 fs, the total number of steps was 1,500,000, and the total output was 300 frames. COMPASS force field was used for model construction and optimization, which can accurately simulate and predict the structure, conformation, vibration frequency, and thermodynamic properties of a single molecule or condensed matter in a wide range.…”
Section: Experimental Principles and Methodsmentioning
confidence: 99%