TY - JOUR
T1 - Water permeation in polymeric membranes
T2 - Mechanism and synthetic strategy for water-inhibiting functional polymers
AU - Araki, Yusuke
AU - Kobayashi, Yusei
AU - Kawaguchi, Touru
AU - Kaneko, Takashi
AU - Arai, Noriyoshi
N1 - Funding Information:
N.A. was supported by JSPS KAKENHI Grant no. 17K14610 .
Publisher Copyright:
© 2018 Elsevier B.V.
PY - 2018/10/15
Y1 - 2018/10/15
N2 - The prediction and control of penetration in a polymeric membrane is of critical importance in green chemistry and energy technology, including gas separation, water purification, and desalination. We performed molecular simulations of water transport through a polymeric membrane to clarify the key factors that dominate water permeation. The effects of additives and chemical interaction (solubility) on water inhibition were investigated. We found that additives reduce water permeability into the membrane. Upon incorporation of the additive, strength of coordination of water molecules near the membrane surface increases. Thus, the penetration frequency of water molecules into the membrane decreases. It is suggested that the local environment near the membrane surface plays a significant role in controlling water permeability. In order to gain deeper insights into the polymer design, we discussed the chemical interaction (solubility) parameter change between polymer chains and additives. Using a repulsive chemical species of a polymer chain for additives can lead to higher water inhibition. The ability to control water permeability into the membrane by polymer design can be exploited for applications in water separation technology.
AB - The prediction and control of penetration in a polymeric membrane is of critical importance in green chemistry and energy technology, including gas separation, water purification, and desalination. We performed molecular simulations of water transport through a polymeric membrane to clarify the key factors that dominate water permeation. The effects of additives and chemical interaction (solubility) on water inhibition were investigated. We found that additives reduce water permeability into the membrane. Upon incorporation of the additive, strength of coordination of water molecules near the membrane surface increases. Thus, the penetration frequency of water molecules into the membrane decreases. It is suggested that the local environment near the membrane surface plays a significant role in controlling water permeability. In order to gain deeper insights into the polymer design, we discussed the chemical interaction (solubility) parameter change between polymer chains and additives. Using a repulsive chemical species of a polymer chain for additives can lead to higher water inhibition. The ability to control water permeability into the membrane by polymer design can be exploited for applications in water separation technology.
KW - Additive
KW - Dissipative particle dynamics
KW - Polymeric membrane
KW - Water permeability
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U2 - 10.1016/j.memsci.2018.07.009
DO - 10.1016/j.memsci.2018.07.009
M3 - Article
AN - SCOPUS:85049885728
VL - 564
SP - 184
EP - 192
JO - Jornal of Membrane Science
JF - Jornal of Membrane Science
SN - 0376-7388
ER -