2023
DOI: 10.1016/j.cej.2022.139287
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Self-crystallization behavior of paraffin and the mechanism study of SiO2 nanoparticles affecting paraffin crystallization

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Cited by 11 publications
(9 citation statements)
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“…The best results were obtained at 100 ppm of PPD, above which the gelation worsened due to the self-aggregation of excess SiO 2 particles as a result of incomplete binding to POA. Wang et al 161 observed that SiO 2 particles affected wax crystallization at the microscopic level using molecular dynamics simulations, which was consistent with the conclusions in literature. 120 The incorporation of SiO 2 nanoparticles provides nonhomogeneous phase nucleation, attracting wax molecules to form clusters.…”
Section: Silicon Dioxide (Sio 2 )supporting
confidence: 88%
“…The best results were obtained at 100 ppm of PPD, above which the gelation worsened due to the self-aggregation of excess SiO 2 particles as a result of incomplete binding to POA. Wang et al 161 observed that SiO 2 particles affected wax crystallization at the microscopic level using molecular dynamics simulations, which was consistent with the conclusions in literature. 120 The incorporation of SiO 2 nanoparticles provides nonhomogeneous phase nucleation, attracting wax molecules to form clusters.…”
Section: Silicon Dioxide (Sio 2 )supporting
confidence: 88%
“…Then, a solid complex intermediate phase emerged as the solvent evaporated and the nuclei grew. As shown in Figure b, the diffusion coefficient ( D ) of the reactive ions in five different solvents was evaluated by molecular dynamics simulation, including DMF, DMSO, 3F, CB, and TU (the D and corresponding deviation are presented in Table S1). The behavior of FA + ions may dominate the formation of nuclei and the growth of the intermediate phase since the concentration of FA + far exceeds that of other cations.…”
Section: Resultsmentioning
confidence: 99%
“…The Optimized Potentials for Liquid Simulations-All Atom (OPLS-AA) force field was adopted to describe the interparticle interactions. This scheme has been widely benchmarked for the thermodynamic and configurational properties of alkanes, polymers, and biomolecules. The particle mesh Ewald (PME) algorithm was used to evaluate the electrostatic interactions. Both the van der Waals and electrostatic interactions were truncated with cutoff values of 5.0 nm.…”
Section: Methodsmentioning
confidence: 99%