eprintid: 18433
rev_number: 2
eprint_status: archive
userid: 1
dir: disk0/00/01/84/33
datestamp: 2024-06-04 14:10:39
lastmod: 2024-06-04 14:10:39
status_changed: 2024-06-04 14:03:10
type: article
metadata_visibility: show
creators_name: Khosravi, V.
creators_name: Mahmood, S.M.
creators_name: Yeap, S.P.
title: Unveiling the molecular interactions of surface wetting modification in porous medium: A groundbreaking insight into wettability alteration
ispublished: pub
keywords: Calcium chloride; Distribution functions; Floods; Metal ions; Molecular dynamics; Oil well flooding; Porous materials; Sodium chloride, Ca 2+; Divalents; Dynamics simulation; Floodings; Molecular dynamic simulation; Physio-chemical interaction; Porous medium; Smart water flooding; Surface wetting; Wettability alteration, Wetting
note: cited By 0
abstract: Recently, discussions have been raised surrounding the cause of changing wettability during brine salinity engineering. The goal of this study is to decode the reason behind wettability changes by introducing a novel approach involves both monovalent (Na+) and divalent (Ca2+) ions. Through molecular dynamics simulations, the study investigates the underlying physiochemical interactions responsible for wettability modification via configuring the amorphous cells and integrated layers. Various metrics were analyzed including the radial distribution function, diffusion coefficient, adsorption energy, mixing energy, solubility parameter, and molecular configurational changes. The results demonstrate the significant influence of oil polarity and the role of sodium ions with a maximum diffusivity of 1.2 � 10�4 cm2/s. Calculations reveal that sodium chloride ions are two orders of magnitude more active than calcium chloride ions. The most notable finding of this study involves the identification of two new mechanisms termed the �brine Prong� and �oil Vortex� effects that play a crucial role in separating oil from the surface and inducing changes in the wetting state. Overall, the results offer significant insights into the fields of engineering water flooding and the interaction between brine, oil, and rock to elucidate the wettability alteration phenomenon in porous medium and secure enhancement of oil production. © 2023 Institution of Chemical Engineers
date: 2023
official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85162187776&doi=10.1016%2fj.cherd.2023.05.056&partnerID=40&md5=c396190b69c29e7509474c31137faab1
id_number: 10.1016/j.cherd.2023.05.056
full_text_status: none
publication: Chemical Engineering Research and Design
volume: 195
pagerange: 418-431
refereed: TRUE
citation:   Khosravi, V. and Mahmood, S.M. and Yeap, S.P.  (2023) Unveiling the molecular interactions of surface wetting modification in porous medium: A groundbreaking insight into wettability alteration.  Chemical Engineering Research and Design, 195.  pp. 418-431.