Insights into water-mediated ion clustering in aqueous CaSO4 solutions: pre-nucleation cluster characteristics studied by ab initio calculations and molecular dynamics simulations-Reference-Cited by-同舟云学术

Insights into water-mediated ion clustering in aqueous CaSO4 solutions: pre-nucleation cluster characteristics studied by ab initio calculations and molecular dynamics simulations

Published:2017 Issue:18 Volume:19 Page:11390-11403
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Hui-Ji¹²³⁴⁵,Yan Dan¹²³⁴⁵,Cai Hou-Qin¹²³⁴⁵,Yi Hai-Bo¹²³⁴⁵^ORCID,Min Xiao-Bo⁶⁷⁸⁹⁵,Xia Fei-Fei¹⁰¹¹¹²¹³¹⁴

Affiliation:

1. State Key Laboratory of Chemo/Biosensing and Chemometrics

2. College of Chemistry and Chemical Engineering

3. Hunan University

4. Changsha 410082

5. China

6. Chinese National Engineering Research Center for Control & Treatment of Heavy Metal Pollution

7. School of Metallurgy and Environment

8. Central South University

9. Changsha 410083

10. Institute of Functional Nano & Soft Materials (FUNSOM)

11. Collaborative Innovation Center of Suzhou Nano Science and Technology (NANO-CIC)

12. Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices

13. Soochow University

14. Suzhou 215123

Abstract

Neutral clusters are typical species in pre-nucleation processes; the dynamics of water molecules around CaSO₄ clusters slow down due to dual reorientation.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP00428A

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