Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

Molecular simulation of crude oil (resin) adsorption onto hydroxylated edge surfaces of the clay mineral kaolinite. Trends in adsorption are observed with changes in salinity and surface charge. This work provides molecular-scale properties relevant to low salinity flooding.

Data e Risorse

Campo Valore
Citation "\"T. R. Zeitler, J. A. Greathouse, R. T. Cygan, J. T. Fredrich and G. R. Jerauld. (2017) Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure. J. Phys. Chem. C, 121, 22787-22796\""
Is NETL associated "\"No\""
Gruppi
  • AmeriGEOSS
  • Global Provider
Tag
  • adsorption
  • amerigeo
  • amerigeoss
  • ckan
  • edx
  • energy
  • energy-data-exchange
  • geo
  • geoss
  • global
  • kaolinite
  • low-salinity-waterflooding
  • molecular-modeling
  • resin
isopen False
license_id No License Restrictions
license_title No License Restrictions
metadata_created 2025-11-25T22:38:40.534418
metadata_modified 2025-11-25T22:38:40.534422
notes Molecular simulation of crude oil (resin) adsorption onto hydroxylated edge surfaces of the clay mineral kaolinite. Trends in adsorption are observed with changes in salinity and surface charge. This work provides molecular-scale properties relevant to low salinity flooding.
num_resources 1
num_tags 14
title Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure