Molecular dynamics simulation of SDS-driven silica nanoparticle stabilization for wettability alteration in carbonate reservoirs
Year: 2025
Type: article
Abstract: The synergistic use of silica nanoparticles (SNP) and surfactants has shown significant potential for stabilizing nanofluids under harsh reservoir conditions and altering the wettability of carbonate reservoirs to enhance oil recovery. Despite the promising results of experimental findings, the underlying molecular-level mechanisms remain insufficiently understood. This study employs molecular dynamics (MD) simulations to investigate the behavior of sodium dodecyl sulfate (SDS) in the presence o SNPs and its effect on wettability alteration. Realistic surface charges were assigned to SNPs based on zeta potential measurements, addressing a key limitation in prior modeling studies. The results reveal that SDS can adsorb onto similarly-charged SNPs, increasing their zeta-potential and enhancing stability. Further simulations explored the wettability alteration of calcite by SDS, SNP, and their combination (SNP+SDS). The results showed the key contributors in wettability alteration by SNP+SDS include SDS adsorption, complex formation with oil polar moieties (carboxylate), and SNP interaction at oil-water interface. The synergistic use of SDS and SNPs accelerated the wettability alteration to water-wet, reducing the contact angle from 106° to 62° and decreasing the number of interfacial oil/calcite carboxylate by 60% within 50 ns. This study provides molecular-level insight into the dual role of SDS, bridging experimental findings and atomistic simulations.
Source: Results in Engineering
Institution: Petroleum University of Technology
Language: English
Subfield: Ocean Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,940
OpenAlex ID: W4413209709