info:eu-repo/semantics/article
Modeling hydrocarbon droplet dissolution in near-critical or supercritical water using GCA-EOS and non-ideal diffusional driving force in binary mixtures
Fecha
2019-04Registro en:
Sánchez, Francisco Adrián; He, Ping; Ghoniem, Ahmed F.; Pereda, Selva; Modeling hydrocarbon droplet dissolution in near-critical or supercritical water using GCA-EOS and non-ideal diffusional driving force in binary mixtures; Elsevier Science; Journal of Supercritical Fluids; 146; 4-2019; 1-14
0896-8446
CONICET Digital
CONICET
Autor
Sánchez, Francisco Adrián
He, Ping
Ghoniem, Ahmed F.
Pereda, Selva
Resumen
In this work, the mixing of a hydrocarbon droplet in near- and super-critical water (NCW/SCW) is mathematically modeled, coupling thermodynamic properties calculation with transport processes. In non-ideal systems, mass transfer is captured using the generalized Maxwell-Stefan equations with the driving force expressed in terms of the fugacity gradients. The GCA-EOS is used to predict the thermodynamic properties and phase equilibrium compositions. We select n-decane, n-triacontane, benzene, naphthalene and 1-decylnaphthalene as representative hydrocarbons. Our simulations show delayed mixing processes as the temperature approaches the upper critical solution temperature (UCST) of the mixture, consistent with the impact of non-ideal diffusional driving forces evaluated from pure thermodynamic calculations. Results also show that the phase behavior notably affects the non-ideal driving forces near the UCST, which confirms the importance of coupling accurate thermodynamic models in predictive mixing studies.