Toward high permeability, selectivity and controllability of water desalination with FePc nanopores

Literature Information

Publication Date 2016-02-23
DOI 10.1039/C6CP00322B
Impact Factor 3.676
Authors

Qingming Deng, Xiaofeng Wang, Lina Zhao, Seung-gu Kang, Camilo A. Jimenez-Cruz, Jingyuan Li


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Abstract

Nanoporous materials exhibit promising potential in water transportation applications, especially in ocean water desalination. It is highly desired to have great permeability, selectivity and controllability in the desalination performance of these nanopores. However, it is still a challenge to achieve all three features in one material or device. Here, we demonstrate efficient and controllable water desalination with a nanoporous 2D Fe phthalocyanine (FePc) membrane using molecular dynamics simulations. We find the FePc membrane not only conducts fast water flow, but it also suppresses ion permeation. The selectivity is attributed to a mechanism distinct from the traditional steric exclusion: cations are excluded due to electrostatic repulsion, whereas anions can be trapped in the nanopore and induce the reorganization of ions in the vicinity of the nanopore, which in turn creates a tendency for the trapped anions to move back into the saline reservoir. More interestingly, we find such mechanism is largely due to the sufficiently strong electrostatic interaction of the charged nanopore region with ions and is not restricted to the FePc nanopore. In addition, the number of protonated nitrogen atoms in FePc pores can be modulated by adjusting the pH value of the solution. The extent of the anion occupancy can thus be regulated, giving rise to control of the water flow. Taken together, great permeability, selectivity and controllability can be achieved with this nanosheet system. Moreover, our study suggests there is an alternative mechanism of water desalination which may be realized by intrinsically nanoporous materials such as FePc membranes.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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