Dissipative Particle Dynamics (DPD) Study of Crude Oil−Water Emulsions in the Presence of a Functionalized Co-polymer
Autor: | Ana Pereñíguez López, Eugenio A. Flores, Laura V. Castro, J. G. Hernández, Fernando Carballo Álvarez, Flavio Vázquez |
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Rok vydání: | 2010 |
Předmět: |
Coalescence (physics)
chemistry.chemical_classification Ethylene oxide General Chemical Engineering Dissipative particle dynamics Energy Engineering and Power Technology Polymer chemistry.chemical_compound Hildebrand solubility parameter Fuel Technology chemistry Chemical engineering Emulsion Organic chemistry Solubility Asphaltene |
Zdroj: | Energy & Fuels. 25:562-567 |
ISSN: | 1520-5029 0887-0624 |
Popis: | This work presents a theoretical study of the effects of different molecular weights of a triblock co-polymer ethylene oxide/propylene oxide/ethylene oxide, bifunctionalized with ethalamine, on the coalescence of water drops imbibed in a crude oil environment. The polymer/crude oil/water (PCW) time evolution of the emulsion was simulated using the framework of the dissipative particle dynamics (DPD) technique. The bead−bead interactions of the molecular components were calculated using the correlation between the solubility parameter, χij, of the Flory−Huggins theory and the conservative force parameter, aij. The solubility parameter was obtained from atomic molecular models of prototype molecules of saturates, aromatics, resins, asphaltenes, and the triblock co-polymer, through the blend methodology. The dynamic evolution of coarse-grain mesomolecules was carried out in cells of 20 × 20 × 20 DPD unit length with periodic boundary conditions. The composition of the emulsion was chosen to be similar to a M... |
Databáze: | OpenAIRE |
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