A density functional theory study of arsenic immobilization by the Al(iii)-modified zeolite clinoptilolite-Reference-Cited by-同舟云学术

A density functional theory study of arsenic immobilization by the Al(iii)-modified zeolite clinoptilolite

Published:2016 Issue:16 Volume:18 Page:11297-11305
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Awuah Joel B.¹²³⁴,Dzade Nelson Y.⁵⁶⁷⁸,Tia Richard⁹²³⁴,Adei Evans⁹²³⁴,Kwakye-Awuah Bright¹²³⁴⁹,Richard A. Catlow C.¹⁰¹¹¹²¹³,de Leeuw Nora H.⁵⁶⁷⁸⁹

Affiliation:

1. Department of Physics

2. Kwame Nkrumah University of Science and Technology

3. Kumasi

4. Ghana

5. Department of Earth Sciences

6. Utrecht University

7. Utrecht

8. The Netherlands

9. Department of Chemistry

10. School of Chemistry

11. Cardiff University

12. Cardiff CF10 3AT

13. UK

Abstract

We present density functional theory calculations of the adsorption of arsenic acid (AsO(OH)₃) and arsenous acid (As(OH)₃) on the Al(iii)-modified natural zeolite clinoptilolite under anhydrous and hydrated conditions.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP00190D

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5. U. S. Environmental Protection Angency, 2001, vol. 66

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