Molecular Dynamics Simulation of Nanoparticle‐Driven Oil Detachment in Nanochannels DOI Open Access
Qianli Ma, Minglu Shao, Lipei Fu

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(13)

Published: March 28, 2025

Abstract Nanoparticles exhibit significant potential in modulating oil‐water interfacial tension, altering rock wettability, and optimizing fluid flow for enhanced oil recovery. This study employs MD simulations to investigate the effects of surface‐modified nanoparticles (pure‐NP, alkyl‐NP, carboxylate‐NP) on layer thickness, displacement energy. Results reveal that alkyl‐NP reduces tension most effectively (32.57 mN·m⁻¹), followed by carboxylate‐NP (38.64 mN·m⁻¹) pure‐NP (45.02 mN·m⁻¹). Alkyl‐NP also demonstrates greatest reduction oil‐particle interaction energy (−500 kcal/mol), while Pure‐NP Carboxylate‐NP show weaker capacity. Notably, nanoparticle addition significantly increases thickness ( t : 9.5 ∼ 17.4 Å, water 7.9 12.5 total 13.4 22.5 Å) compared pure system = 4.8 3.8 6.5 Å). These findings suggest systems enhance recovery lowering thickening layers, improving crude stripping migration. emerges as promising modifier due its superior interface control reduction.

Language: Английский

Molecular Dynamics Simulation of Nanoparticle‐Driven Oil Detachment in Nanochannels DOI Open Access
Qianli Ma, Minglu Shao, Lipei Fu

et al.

ChemistrySelect, Journal Year: 2025, Volume and Issue: 10(13)

Published: March 28, 2025

Abstract Nanoparticles exhibit significant potential in modulating oil‐water interfacial tension, altering rock wettability, and optimizing fluid flow for enhanced oil recovery. This study employs MD simulations to investigate the effects of surface‐modified nanoparticles (pure‐NP, alkyl‐NP, carboxylate‐NP) on layer thickness, displacement energy. Results reveal that alkyl‐NP reduces tension most effectively (32.57 mN·m⁻¹), followed by carboxylate‐NP (38.64 mN·m⁻¹) pure‐NP (45.02 mN·m⁻¹). Alkyl‐NP also demonstrates greatest reduction oil‐particle interaction energy (−500 kcal/mol), while Pure‐NP Carboxylate‐NP show weaker capacity. Notably, nanoparticle addition significantly increases thickness ( t : 9.5 ∼ 17.4 Å, water 7.9 12.5 total 13.4 22.5 Å) compared pure system = 4.8 3.8 6.5 Å). These findings suggest systems enhance recovery lowering thickening layers, improving crude stripping migration. emerges as promising modifier due its superior interface control reduction.

Language: Английский

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