Complexation of carboxylate on smectite surfaces

Author:

Liu Xiandong12345ORCID,Lu Xiancai12345,Zhang Yingchun12345ORCID,Zhang Chi12345ORCID,Wang Rucheng12345

Affiliation:

1. State Key Laboratory for Mineral Deposits Research

2. School of Earth Sciences and Engineering

3. Nanjing University

4. Nanjing 210093

5. P. R. China

Abstract

We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference81 articles.

1. Atomic-scale structures of interfaces between phyllosilicate edges and water

2. Surface acidity of 2:1-type dioctahedral clay minerals from first principles molecular dynamics simulations

3. G. D. Yuan , B. K. G.Theng, G. J.Churchman and W. P.Gates, in Developments in Clay Science, ed. B. Faïza and L. Gerhard, Elsevier, 2013, pp. 587–644

4. G. Lagaly , M.Ogawa and I.Dékány, Handbook of clay science, 2013

5. Clay-Organic Complexes and Interactions

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