loading
Papers Papers/2022 Papers Papers/2022

Research.Publish.Connect.

Paper

Paper Unlock

Authors: Sen Yang ; Qian Wang ; Chang Zhu and Gang Yang

Affiliation: College of Resources and Environment & Chongqing Key Laboratory of Soil Multi-scale Interfacial Process, Southwest University and Chongqing, China

Keyword(s): Density functional theory, adsorption, clay surface, ion exchange, Hofmeister effects

Abstract: Computer simulations play a critical role in geochemical science. In this work, density functional theory calculations were employed to address some critical issues that are the adsorption of metal ions and cation exchange at clay surfaces. Data showed that the adsorption strengths of metal ions at clay surfaces were enhanced pronouncedly due to the increase of surface charges, while for specific clay particles (with determined surface charges), the adsorption strengths greatly declined with more loading of metal ions. Metal ions adsorbed at clay surfaces can be inter-exchanged, and the exchange difficulty significantly relied on the identity of metal ions and the type of clay minerals. The Hofmeister effects abided by the sequences of Cs+ > K+ > Na+ > Li+ on montmorillonite, and kaolinite whereas of Na+ > Li+ > Cs+ ≥ K+ on beidellite. Based on the cation exchange studies, mechanism of cation exchange at clay surfaces has been proposed. The cation exchange equilibrium constants were calculated for the various alkali ions at the surfaces of different clay minerals, which are in accord with the experimental observations. (More)

CC BY-NC-ND 4.0

Sign In Guest: Register as new SciTePress user now for free.

Sign In SciTePress user: please login.

PDF ImageMy Papers

You are not signed in, therefore limits apply to your IP address 18.118.150.80

In the current month:
Recent papers: 100 available of 100 total
2+ years older papers: 200 available of 200 total

Paper citation in several formats:
Yang, S.; Wang, Q.; Zhu, C. and Yang, G. (2018). Computer Simulations to Predict the Adsorption and Cation Exchange at Mineral Surfaces. In Proceedings of the International Workshop on Environment and Geoscience - IWEG; ISBN 978-989-758-342-1, SciTePress, pages 314-318. DOI: 10.5220/0007429703140318

@conference{iweg18,
author={Sen Yang. and Qian Wang. and Chang Zhu. and Gang Yang.},
title={Computer Simulations to Predict the Adsorption and Cation Exchange at Mineral Surfaces},
booktitle={Proceedings of the International Workshop on Environment and Geoscience - IWEG},
year={2018},
pages={314-318},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0007429703140318},
isbn={978-989-758-342-1},
}

TY - CONF

JO - Proceedings of the International Workshop on Environment and Geoscience - IWEG
TI - Computer Simulations to Predict the Adsorption and Cation Exchange at Mineral Surfaces
SN - 978-989-758-342-1
AU - Yang, S.
AU - Wang, Q.
AU - Zhu, C.
AU - Yang, G.
PY - 2018
SP - 314
EP - 318
DO - 10.5220/0007429703140318
PB - SciTePress

- Science and Technology Publications, Lda.
RESOURCES

Proceedings

Papers

Authors

Ontology

CONTACTS

Science and Technology Publications, Lda
Avenida de S. Francisco Xavier, Lote 7 Cv. C,
2900-616 Setúbal, Portugal.

Phone: +351 265 520 185 (National fixed network call)
Fax: +351 265 520 186
Email: info@scitepress.org

EXTERNAL LINKS

PRIMORIS

INSTICC

SCITEVENTS

CROSSREF

PROCEEDINGS SUBMITTED FOR INDEXATION BY:

dblp

Ei Compendex

SCOPUS

Semantic Scholar

Google Scholar

Microsoft Academic