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1.
Energy Fuels ; 38(4): 2844-2854, 2024 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-38380113

RESUMO

Surfactant/polymer flooding allows for a significant increase in oil recovered at both laboratory and field scales. Limitations in application at the reservoir scale are, however, present and can be associated with both the complexity of the underlying displacement process and the time-intensive nature of the up-scaling workflow. Pivotal to this workflow are corefloods which serve to both validate the extent of oil recovery and extract modeling parameters used in upscaling. To enhance the understanding of the evolution of the saturation distribution within the rock sample, we present the utilization of X-ray computed tomography to image six distinct surfactant/polymer corefloods. In doing so, we visualize the formation and propagation of an oil bank by reconstructing multidimensional saturation maps. We conduct experiments on three distinct core sizes and two different surfactants, an SBDS/isbutanol formulation and an L-145-10s 90 formulation, in order to decouple the effect of these two parameters on the flow behavior observed in situ. We note that the oil production post oil bank breakthrough is primarily influenced by the surfactant choice, with the SDBS/isobutanol formulation displaying longer tailing production of a low oil cut. On the other hand, the core size dominated the extent of self-similarity of the saturation profiles with smaller cores showing less overlap in the self-similarity profiles. Consequently, we highlight the difference in applicability of a fractional flow approach to larger and smaller cores for upscaling parameter extraction and thus provide guidance for corefloods where direct imaging is not available.

2.
J Chem Theory Comput ; 20(4): 1612-1624, 2024 Feb 27.
Artigo em Inglês | MEDLINE | ID: mdl-37916678

RESUMO

The aggregation of clay particles is an everyday phenomenon of scientific and industrial relevance. However, it is a complex multiscale process that depends delicately on the nature of the particle-particle and particle-solvent interactions. Toward understanding how to control such phenomena, a multiscale computational approach is developed, building from molecular simulations conducted at atomic resolution to calculate the potential of mean force (PMF) profiles in both pure and saline water environments. We document how it is possible to use such a model to develop a fundamental understanding concerning the mechanism of particle aggregation. For example, using molecular dynamics simulations conducted at the mesoscale in implicit solvents, it is possible to quantify the size and shape of clay aggregates as a function of system conditions. The approach is used to emphasize the role of salt concentration, which directly affects the potentials of the mean forces between kaolinite particles. While particle agglomeration in pure water yields large aggregates, the presence of sodium chloride in the aqueous brine leads instead to a large number of small aggregates. These results are consistent with macroscopic experimental observations, suggesting that the simulation protocol developed could be relevant for preventing pore blocking in heterogeneous porous matrixes.

3.
J Phys Chem C Nanomater Interfaces ; 126(18): 8143-8151, 2022 May 12.
Artigo em Inglês | MEDLINE | ID: mdl-35592734

RESUMO

The aggregation of clay particles in aqueous solution is a ubiquitous everyday process of broad environmental and technological importance. However, it is poorly understood at the all-important atomistic level since it depends on a complex and dynamic interplay of solvent-mediated electrostatic, hydrogen bonding, and dispersion interactions. With this in mind, we have performed an extensive set of classical molecular dynamics simulations (included enhanced sampling simulations) on the interactions between model kaolinite nanoparticles in pure and salty water. Our simulations reveal highly anisotropic behavior, in which the interaction between the nanoparticles varies from attractive to repulsive depending on the relative orientation of the nanoparticles. Detailed analysis reveals that at large separation (>1.5 nm), this interaction is dominated by electrostatic effects, whereas at smaller separations, the nature of the water hydration structure becomes critical. This study highlights an incredible richness in how clay nanoparticles interact, which should be accounted for in, for example, coarse-grained models of clay nanoparticle aggregation.

5.
Rev Sci Instrum ; 85(9): 095111, 2014 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-25273776

RESUMO

Vibrating tube densimeters are well-established tools for measuring fluid densities precisely at elevated temperatures and pressures. However, the conventional method of calibrating them utilises a model in which the apparatus parameters are represented as polynomials of temperature and pressure that contain a variable number of terms. Here a robust, physically-based model is presented and demonstrated for six different instruments at temperatures from (273 to 473) K, pressures from (0 to 140) MPa, and densities from (0 to 1050) kg m(-3). The model's physical basis ensures that only seven apparatus parameters are required to relate the measured resonant period to fluid mass density with an average r.m.s. deviation of ±0.23 kg m(-3) across all six densimeters. Estimates for each of the apparatus parameters were made based on the geometry and material properties of the vibrating tubes, and these estimates were consistent with the parameter values determined by calibration with reference fluids. Three of the apparatus parameters describe the temperature dependence of the resonant period: for the six vibrating tubes tested, the relative standard deviations of these parameters were all within the range of values estimated from the thermoelastic properties of the Hastelloy tubes. Two distinct parameters are required to describe the pressure dependence of the vibrating tube's volume and effective spring constant, both of which are estimable from equations describing the elastic deformation of thick-walled tubes. The extensive calibrations conducted demonstrate that, for these densimeters, the variations with pressure of the tube's spring constant and its volume have a ratio that is neither 0 nor 1, as has been assumed previously. The model's physical basis allows vibrating tube densimeters to be calibrated accurately using fewer reference fluid measurements than required by the conventional method. Furthermore, use of the physically-based model reduces the uncertainty of measurements made at densities, temperatures, or pressures beyond the range of the calibration.

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