Effect of Polar Molecule Aggregation on the Stability of Crude Oil/Water Interface: A Molecular Simulation Study

Abstract To ensure the efficient operation of crude oil dehydration and sewage treatment technology in oilfield surface production system, the effect mechanism of polar components represented by asphaltene and resin on the formation and stability of oil-water emulsion needs to be revealed at nanoscale. In this paper, the molecular dynamics simulation method was used to construct the crude oil/polar component/water system models with different molar ratios of asphaltene to resin by adjusting the number of asphaltene and resin molecules, so as to reveal the molecular arrangement and aggregation process and film forming characteristics of asphaltene, resin, and their mixture at the oil-water interface. The simulated results showed that the aggregation process of asphaltene molecules under the influence of hydrogen bonds can be divided into three stages. The addition of resin molecules enhanced the connection between molecules of all polar components at the interface. The π−π stacking and T-shaped stacking structures were found in all aggregations, and the higher the molar ratio of asphaltene molecules, the higher the proportion of π−π stacking structure. With the increase of the molar ratio of asphaltene to resin increases from 0 : 1 to 1 : 0, the interfacial film thickness and interface formation energy increase from 2.366 nm and -143.89 kJ/mol to 3.796 nm and -304.09 kJ/mol, respectively, which indicated that asphaltene molecules play a more significant role in promoting the formation of interfacial film and maintaining its structural stability than resin molecules. The investigations in this study provide theoretical support for demulsification of the crude oil emulsion.

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Microscale Interactions of Surfactant and Polymer Chemicals at Crude Oil/Water Interface for Enhanced Oil Recovery

SPE Journal ◽

10.2118/198574-pa ◽

2020 ◽

Vol 25 (04) ◽

pp. 1812-1826

Author(s):

Subhash Ayirala ◽

Zuoli Li ◽

Rubia Mariath ◽

Abdulkareem AlSofi ◽

Zhenghe Xu ◽

...

Keyword(s):

Crude Oil ◽

Oil Recovery ◽

High Salinity ◽

Interfacial Shear ◽

Experimental Techniques ◽

Water Interface ◽

Oil Droplets ◽

Interfacial Film ◽

Chemical Eor ◽

Oil Water

Summary The conventional experimental techniques used for performance evaluation of enhanced oil recovery (EOR) chemicals, such as polymers and surfactants, have been mostly limited to bulk viscosity, phase behavior/interfacial tension (IFT), and thermal stability measurements. Furthermore, fundamental studies exploring the different microscale interactions instigated by the EOR chemicals at the crude oil/water interface are scanty. The objective of this experimental study is to fill this existing knowledge gap and deliver an important understanding on underlying interfacial sciences and their potential implications for oil recovery in chemical EOR. Different microscale interactions of EOR chemicals, at crude oil/water interface, were studied by using a suite of experimental techniques, including an interfacial shear rheometer, Langmuir trough, and coalescence time measurement apparatus at both ambient (23°C) and elevated (70°C) temperatures. The reservoir crude oil and high-salinity injection water (57,000 ppm total dissolved solids) were used. Two chemicals, an amphoteric surfactant (at 1,000 ppm) and a sulfonated polyacrylamide polymer (at 500 and 700 ppm) were chosen because they are tolerant to high-salinity and high-temperature conditions. Interfacial viscous and elastic moduli (viscoelasticity), interface pressures, interface compression energies, and coalescence time between crude oil droplets are the major experimental data measured. Interfacial shear rheology results showed that surfactant favorably reduced the viscoelasticity of crude oil/water interface by decreasing the elastic and viscous modulus and increasing the phase angle to soften the interfacial film. Polymers in brine either alone or together with surfactant increased the viscous and elastic modulus and decreased the phase angle at the oil/water interface, thereby contributing to interfacial film rigidity. Interfacial pressures with polymers remained almost in the same order of magnitude as the high-salinity brine. In contrast, a significant reduction in interfacial pressures with surfactant was observed. The interface compression energies indicated the same trend and were reduced by approximately two orders of magnitude when surfactant was added to the brine. The surfactant was also able to retain similar interface behavior under compression even in the presence of polymers. The coalescence times between crude oil droplets were increased by polymers, while they were substantially decreased by the surfactant. These consistent findings from different experimental techniques demonstrated the adverse interactions of polymers at the crude oil/water interface to result in more rigid films, while confirming the high efficiency of the surfactant to soften the interfacial film, promote the oil droplets coalescence, and mobilize substantial amounts of residual oil in chemical EOR. This experimental study, for the first time, characterized the microscale interactions of surfactant-polymer chemicals at the crude oil/water interface. The applicability of several interfacial experimental techniques has been demonstrated to successfully understand underlying interfacial sciences and oil mobilization mechanisms in chemical EOR. These techniques and methods can provide potential means to efficiently screen and optimize EOR chemical formulations for better oil recovery in both sandstone and carbonate reservoirs.

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