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Title: Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study

Abstract

Understanding ion solvation in liquid water is critical in optimizing materials for a wide variety of emerging technologies, including water desalination and purification.

Authors:
 [1];  [1]; ORCiD logo [2];  [3]; ORCiD logo [2];  [1]; ORCiD logo [1]
  1. Lawrence Livermore National Laboratory, Livermore, USA
  2. Department of Chemical and Environmental Engineering, Yale University, New Haven, USA
  3. Department of Chemical and Environmental Engineering, Yale University, New Haven, USA, Faculty of Civil and Environmental Engineering
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1591950
Grant/Contract Number:  
SC0019112; AC52-07NA27344
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 4; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Aydin, Fikret, Zhan, Cheng, Ritt, Cody, Epsztein, Razi, Elimelech, Menachem, Schwegler, Eric, and Pham, Tuan Anh. Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP06163K.
Aydin, Fikret, Zhan, Cheng, Ritt, Cody, Epsztein, Razi, Elimelech, Menachem, Schwegler, Eric, & Pham, Tuan Anh. Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study. United Kingdom. doi:10.1039/C9CP06163K.
Aydin, Fikret, Zhan, Cheng, Ritt, Cody, Epsztein, Razi, Elimelech, Menachem, Schwegler, Eric, and Pham, Tuan Anh. Wed . "Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study". United Kingdom. doi:10.1039/C9CP06163K.
@article{osti_1591950,
title = {Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study},
author = {Aydin, Fikret and Zhan, Cheng and Ritt, Cody and Epsztein, Razi and Elimelech, Menachem and Schwegler, Eric and Pham, Tuan Anh},
abstractNote = {Understanding ion solvation in liquid water is critical in optimizing materials for a wide variety of emerging technologies, including water desalination and purification.},
doi = {10.1039/C9CP06163K},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 4,
volume = 22,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
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