Abstract
This study developed two nanoparticles (kaolinite NP of 9 crystal units 9[Al2Si2O5(OH)4], quartz NP of 18 units 18[Si3O6]) using the crystal unit cell experimental data. The functionality of the nanoparticles was demonstrated by a systematic process simulations on the aggregation dynamics of quartz NP or kaolinite NP with non-ionic PEG alkane surfactant (C12E3) in aqueous solution. The simulation showed a helix aggregation of quartz NPs and a layer formation (surface to surface, surface to site, surface deformation) of kaolinite NPs. The aggregation results agreed with some field observations of clay and silica minerals. The simulation also showed a relatively faster aggregation of C12E3 into a spherical micelle whereas the anionic sodium dodecyl sulphate (SDS), cationic cetyltrimethylammonium bromide (CTAB) into a more complex rod, funnel and slab-like clusters. The nanoparticles aggregation in aqueous solution with surfactants showed a potential application of the quartz NP or kaolinite NP in reservoir or biomedical (drug delivery) fluids. The quartz and kaolinite NPs in this study can be applied to simulate any large scale systems (such as reservoir-representative pore networks or larger biomedical fluid volumes).
Supplementary materials
Title
S1 File. Supporting Materials
Description
First section on C12E3, SDS, CTAB Aggregation (S1 Process Model, S2 Aggregation in Water, S3 Aggregation in Oil/Water Interface). Second section on C12E3, Kaolinite, Quartz Aggregation (S4 Radial Distribution Function).
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