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A poly(itaconic acid-co-sodium vinylsulphonate) (PIASVS) was theoretically studied and experimentally evaluated as an inhibitory agent against the growth of calcium sulfate (CaSO4) crystals, in both non-saline and saline solutions. Density functional theory revealed that the CaSO4 crystal precipitation could be precluded through the effective pairing of Ca2+ and SO42− ions by carboxylic group polymer...
Ion–dipole pair formations driven by supramolecular interactions between the dodecyltrimethylammonium chloride (C 12 TAC) cationic surfactant and either 1-naphthol (NAP), quinoline (QN) or benzothiophene dipolar molecules, which model heteroaromatic ring groups displayed by asphaltenes and resins contained in heavy Mexican crude oils, were theoretically and experimentally analyzed. Theoretical...
A new itaconic acid (IA)–sodium vinyl sulfonate (VS) copolymer is proposed to control the formation of calcium sulfate scales. The supramolecular interacting system IA–VS copolymer-calcium sulfate scales was characterized by means of scanning electronic microscopy, X-ray powder diffraction analysis, Fourier transform infrared spectroscopy, differential thermal analysis, density parameters, X-ray fluorescence...
Herein were performed theoretical and experimental studies about the performance of the cationic surfactant docecyltrimethylammonium chloride (C 12 TAC) on the enhancement of the oil recovery factor (ORF) from heavy oil-impregnated calcite cores. The interaction energies between C 12 TAC and either of some molecules present in oil such as an asphaltene (Asph), a resin (Res) or an octanoic...
In order to determine the critical micelle concentration (CMC) of aqueous dodecyltrimethylammonium chloride (DTAC), a screening of the DTAC gathering process at different molalities by performing dissipative particle dynamics (DPD) simulations over mesomolecules whose beads interact via repulsive conservative forces was performed. Conductor‐like screening model for real solvent quantum methodology,...
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