Viscosity reduction mechanism of functionalized silica nanoparticles in heavy oil-water system

Druetta, 2019, Chemical enhanced oil recovery and the role of chemical product design, Appl. Energy, 252, 10.1016/j.apenergy.2019.113480 Nguyen, 2021, Recent advances in asphaltene transformation in heavy oil hydroprocessing: Progress, challenges, and future perspectives, Fuel Process. Technol., 213, 10.1016/j.fuproc.2020.106681 Shang, 2018, Effect of microwave irradiation on the viscosity of crude oil: a view at the molecular level, Fuel Process. Technol., 170, 44, 10.1016/j.fuproc.2017.10.021 Medina, 2019, Upgrading of extra-heavy crude oils by dispersed injection of NiO–PdO/CeO2±δ nanocatalyst-based nanofluids in the steam, Nanomaterials, 9, 1755, 10.3390/nano9121755 Adam, 2021, In-situ microwave-assisted catalytic upgrading of heavy oil: Experimental validation and effect of catalyst pore structure on activity, Chem. Eng. J., 413, 10.1016/j.cej.2020.127420 Yeletsky, 2020, Heavy oil cracking in the presence of steam and nanodispersed catalysts based on different metals, Fuel Process. Technol., 199, 10.1016/j.fuproc.2019.106239 Chen, 2021, Surface hydrophobicity: effect of alkyl chain length and network homogeneity, Front. Chem. Sci. Eng., 15, 90, 10.1007/s11705-020-2003-0 Abu Tarboush, 2015, Dispersed Fe2O3 nanoparticles preparation in heavy oil and their uptake of asphaltenes, Fuel Process. Technol., 133, 120, 10.1016/j.fuproc.2014.12.049 Yang, 2021, Revealing the residual mechanism of switchable solvents in heavy oil, Fuel Process. Technol., 218, 10.1016/j.fuproc.2021.106857 Anto, 2020, Nanoparticles as flow improver of petroleum crudes: Study on temperature-dependent steady-state and dynamic rheological behavior of crude oils, Fuel, 275, 10.1016/j.fuel.2020.117873 Zhang, 2021, Regulation of functional groups on graphene quantum dots directs selective CO2 to CH4 conversion, Nat. Commun., 12, 5265, 10.1038/s41467-021-25640-1 Mao, 2020, Synthesis and performance evaluation of a nanocomposite pour-point depressant and viscosity reducer for high-pour-point heavy oil, Energy Fuel, 34, 7965, 10.1021/acs.energyfuels.9b04487 Qing, 2020, Effect of organically modified nanosilica on the viscosity and rheological behavior of Karamay heavy crude oil, Energy Fuel, 34, 65, 10.1021/acs.energyfuels.9b01325 Montes, 2020, Effect of textural properties and surface chemical nature of silica nanoparticles from different silicon sources on the viscosity reduction of heavy crude oil, ACS Omega, 5, 5085, 10.1021/acsomega.9b04041 Ding, 2021, A molecular dynamics simulation study on solubility behaviors of polycyclic aromatic hydrocarbons in supercritical water/hydrogen environment, Int. J. Hydrog. Energy, 46, 2899, 10.1016/j.ijhydene.2020.05.084 Xiong, 2018, Synergistic adsorption of polyaromatic compounds on silica surfaces studied by molecular dynamics simulation, J. Phys. Chem. C, 122, 4290, 10.1021/acs.jpcc.7b10907 Ji, 2019, Adsorption of C5Pe molecules on silica surfaces with different hydrophobicity studied by molecular dynamics simulation, Appl. Surf. Sci., 495, 10.1016/j.apsusc.2019.143624 de Lara, 2016, Functionalized silica nanoparticles within multicomponent oil/brine interfaces: a study in molecular dynamics, J. Phys. Chem. C, 120, 6787, 10.1021/acs.jpcc.5b11225 Guan, 2019, Mesoscale simulation for heavy petroleum system using structural unit and dissipative particle dynamics (SU–DPD) frameworks, Energy Fuel, 33, 1049, 10.1021/acs.energyfuels.8b04082 Zhang, 2021, Structure–dynamic function relations of asphaltenes, Energy Fuel, 35, 13610, 10.1021/acs.energyfuels.1c02222 Yuan, 2022, Mechanistic study of the adsorption and penetration of modified SiO2 nanoparticles on cellular membrane, Chemosphere, 294, 10.1016/j.chemosphere.2022.133793 Power, 2021, Interface and interphase in polymer nanocomposites with bare and core-shell gold nanoparticles, Polymers, 13, 541, 10.3390/polym13040541 Xu, 2022, Insights into the mechanism during viscosity reduction process of heavy oil through molecule simulation, Fuel, 310, 10.1016/j.fuel.2021.122270 Xu, 2021, Molecular design of the amphiphilic polymer as a viscosity reducer for heavy crude oil: from mesoscopic to atomic scale, Energy Fuel, 35, 1152, 10.1021/acs.energyfuels.0c03260 Minale, 2018, Effect of solvents on the microstructure aggregation of a heavy crude oil, Fuel Process. Technol., 177, 299, 10.1016/j.fuproc.2018.05.016 Wensink, 2000, Properties of adsorbed water layers and the effect of adsorbed layers on interparticle forces by liquid bridging, Langmuir, 16, 7392, 10.1021/la000009e Lin, 2020, Origin of mechanical enhancement in polymer nanoparticle (NP) composites with ultrahigh NP loading, Macromolecules, 53, 2976, 10.1021/acs.macromol.9b02733 Berendsen, 1995, GROMACS: a message-passing parallel molecular dynamics implementation, Comput. Phys. Commun., 91, 43, 10.1016/0010-4655(95)00042-E Stroet, 2018, Automated Topology Builder Version 3.0: Prediction of solvation free enthalpies in water and hexane, J. Chem. Theory Comput., 14, 5834, 10.1021/acs.jctc.8b00768 Humphrey, 1996, VMD: Visual molecular dynamics, J. Mol. Graph., 14, 33, 10.1016/0263-7855(96)00018-5 Lu, 2012, Multiwfn: a multifunctional wavefunction analyzer, J. Comput. Chem., 33, 580, 10.1002/jcc.22885 Berendsen, 1984, Molecular dynamics with coupling to an external bath, J. Chem. Phys., 81, 3684, 10.1063/1.448118 Basconi, 2013, Effects of temperature control algorithms on transport properties and kinetics in molecular dynamics simulations, J. Chem. Theory Comput., 9, 2887, 10.1021/ct400109a Ying, 2021, Pressure-responsive two-dimensional metal–organic framework composite membranes for CO2 separation, Angew. Chem. Int. Ed., 60, 11318, 10.1002/anie.202017089 Scott, 1999, The GROMOS biomolecular simulation program package, J. Phys. Chem. A, 103, 3596, 10.1021/jp984217f Tong, 2021, The dynamic behavior and intrinsic mechanism of CO2 absorption by amino acid ionic liquids, Phys. Chem. Chem. Phys., 23, 3246, 10.1039/D0CP05735E Darden, 1993, Particle mesh Ewald: an N·log(N) method for Ewald sums in large systems, J. Chem. Phys., 98, 10089, 10.1063/1.464397 Kunieda, 2010, Self-accumulation of aromatics at the oil−water interface through weak hydrogen bonding, J. Am. Chem. Soc., 132, 18281, 10.1021/ja107519d Sauerer, 2018, Dynamic asphaltene-stearic acid competition at the oil–water interface, Langmuir, 34, 5558, 10.1021/acs.langmuir.8b00684 Wang, 2017, Revealing the intermolecular interactions of asphaltene dimers by quantum chemical calculations, Energy Fuel, 31, 2488, 10.1021/acs.energyfuels.6b02738 Mousavi, 2016, The influence of asphaltene-resin molecular interactions on the colloidal stability of crude oil, Fuel, 183, 262, 10.1016/j.fuel.2016.06.100 Li, 2018, Investigation of spontaneous imbibition by using a surfactant-free active silica water-based nanofluid for enhanced oil recovery, Energy Fuel, 32, 287, 10.1021/acs.energyfuels.7b03132 Wang, 2020, Brownian diffusion of individual janus nanoparticles at water/oil interfaces, ACS Nano, 14, 10095, 10.1021/acsnano.0c03291 Chang, 2021, Nanomechanical characteristics of trapped oil droplets with nanoparticles: a molecular dynamics simulation, J. Pet. Sci. Eng., 203, 10.1016/j.petrol.2021.108649 Cao, 2022, The viscosifying behavior of W/O emulsion and its underlying mechanisms: considering the interfacial adsorption of heavy components, Colloids Surf. A Physicochem. Eng. Asp., 632, 127794, 10.1016/j.colsurfa.2021.127794 Arinina, 2020, Effect of composition and interfacial tension on the rheology and morphology of heavy oil-in-water emulsions, ACS Omega, 5, 16460, 10.1021/acsomega.0c00769 Vu, 2022, Effect of Janus particles and non-ionic surfactants on the collapse of the oil-water interface under compression, J. Colloid Interface Sci., 609, 158, 10.1016/j.jcis.2021.11.160 Liu, 2021, Effects of molecular polarity on the adsorption and desorption behavior of asphaltene model compounds on silica surfaces, Fuel, 284, 10.1016/j.fuel.2020.118990 Sjöblom, 2015, Model molecules mimicking asphaltenes, Adv. Colloid Interf. Sci., 218, 1, 10.1016/j.cis.2015.01.002 Lochbaum, 2021, Lipophilicity of cationic ligands promotes irreversible adsorption of nanoparticles to lipid bilayers, ACS Nano, 15, 6562, 10.1021/acsnano.0c09732 Garbin, 2015, Interactions and stress relaxation in monolayers of soft nanoparticles at fluid-fluid interfaces, Phys. Rev. Lett., 114, 10.1103/PhysRevLett.114.108301 Skountzos, 2021, Individual contributions of adsorbed and free chains to microscopic dynamics of unentangled poly(ethylene glycol)/silica nanocomposite melts and the important role of end groups: theory and simulation, Macromolecules, 54, 4470, 10.1021/acs.macromol.0c02485 Anto, 2020, Nanoparticles as flow improver of petroleum crudes: Study on temperature-dependent steady-state and dynamic rheological behavior of crude oils, Fuel, 275, 10.1016/j.fuel.2020.117873 Manzetti, 2013, The geometry and electronic structure of Aristolochic acid: possible implications for a frozen resonance, J. Phys. Org. Chem., 26, 473, 10.1002/poc.3111