Dipeptide Crystals as Reverse Osmosis Membranes for Water Desalination: Atomistic Simulation
Тип публикации: Journal Article
Дата публикации: 2018-03-01
scimago Q1
wos Q3
БС1
SJR: 0.914
CiteScore: 6.2
Impact factor: 3.2
ISSN: 19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Краткое описание
An atomistic simulation study is reported to investigate the capability of dipeptide crystals as reverse osmosis (RO) membranes for water desalination. Eight dipeptides are considered, namely, Ala-Val (AV), Val-Ala (VA), Ala-Ile (AI), Ile-Ala (IA), Val-Ile (VI), Ile-Val (IV), Val-Val (VV), and Leu-Ser (LS). It is revealed that water flux is governed by both pore size and helicity. With a relatively larger pore size, AV, AI, VV, and LS exhibit a higher water flux than VA, IA, VI, and IV. Despite similar pore size in AI and VA, a higher flux is observed in AI because of a lower helicity. On the other hand, VI, LS, IV, and IA possess higher salt rejection (>90%, and 100% for VI) than the rest (<70%). The salt rejection is determined by the electric potential difference across the membrane, induced by the staggered arrangement of −NH3+ and −COO– groups in the dipeptides. This unique arrangement of charge groups is not observed in other types of RO membranes. A higher electric potential difference allows more ...
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Zhao Z. et al. Dipeptide Crystals as Reverse Osmosis Membranes for Water Desalination: Atomistic Simulation // Journal of Physical Chemistry C. 2018. Vol. 122. No. 11. pp. 6026-6032.
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Zhao Z., Gupta P. M., He Z., Jiang J. Dipeptide Crystals as Reverse Osmosis Membranes for Water Desalination: Atomistic Simulation // Journal of Physical Chemistry C. 2018. Vol. 122. No. 11. pp. 6026-6032.
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TY - JOUR
DO - 10.1021/acs.jpcc.7b11863
UR - https://doi.org/10.1021/acs.jpcc.7b11863
TI - Dipeptide Crystals as Reverse Osmosis Membranes for Water Desalination: Atomistic Simulation
T2 - Journal of Physical Chemistry C
AU - Zhao, Zeyu
AU - Gupta, Parakh M
AU - He, Zhongjin
AU - Jiang, Jian-Wen
PY - 2018
DA - 2018/03/01
PB - American Chemical Society (ACS)
SP - 6026-6032
IS - 11
VL - 122
SN - 1932-7447
SN - 1932-7455
ER -
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@article{2018_Zhao,
author = {Zeyu Zhao and Parakh M Gupta and Zhongjin He and Jian-Wen Jiang},
title = {Dipeptide Crystals as Reverse Osmosis Membranes for Water Desalination: Atomistic Simulation},
journal = {Journal of Physical Chemistry C},
year = {2018},
volume = {122},
publisher = {American Chemical Society (ACS)},
month = {mar},
url = {https://doi.org/10.1021/acs.jpcc.7b11863},
number = {11},
pages = {6026--6032},
doi = {10.1021/acs.jpcc.7b11863}
}
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Zhao, Zeyu, et al. “Dipeptide Crystals as Reverse Osmosis Membranes for Water Desalination: Atomistic Simulation.” Journal of Physical Chemistry C, vol. 122, no. 11, Mar. 2018, pp. 6026-6032. https://doi.org/10.1021/acs.jpcc.7b11863.
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