Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations-Reference-Cited by-同舟云学术

Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations

Published:2016 Issue:97 Volume:6 Page:95328-95336
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Alvim Raphael S.¹²³⁴⁵,Lima Filipe C. D. A.⁵⁶⁷⁴^ORCID,Sánchez Verónica M.¹²³⁴⁸,Headen Thomas F.⁹¹⁰¹¹¹²,Boek Edo S.¹³¹⁴¹²,Miranda Caetano R.¹²³⁴⁵

Affiliation:

1. Centro de Ciências Naturais e Humanas

2. Universidade Federal do ABC

3. Santo André

4. Brazil

5. Departamento de Física dos Materiais e Mecânica

6. Universidade de São Paulo

7. São Paulo

8. CSC

9. ISIS Neutron and Muon Source

10. Rutherford Appleton Laboratory

11. Didcot

12. UK

13. Department of Chemistry

14. University of Cambridge

Abstract

While the asphaltene-resin dimer leads to π–π stacking outward from surface, sulphide group favors this nanoaggregate adsorption on calcite that is energetically similar to the asphaltene monomer adsorbed through less steric and dielectric effects.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA19307B

Reference61 articles.

1. Evidence for Asphaltene Nanoaggregation in Toluene and Heptane from Molecular Dynamics Simulations

2. Potential of Mean Force Calculation from Molecular Dynamics Simulation of Asphaltene Molecules on a Calcite Surface

3. Asphaltene Adsorption, a Literature Review

4. Structural Features of Boscan and Duri Asphaltenes

5. Solids Associated with the Asphaltene Fraction of Oil Sands Bitumen

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