Nanoporous Boron Nitride for High Efficient Water Desalination

Membrane filtration processes for water desalination have been greatly improved thanks to rapid development of nanoporous 2-dimentional (2D) materials. Nanoporous graphene and molybdenum disulfide have proved to show promising properties for desalination. In this study, we detailly investigated the desalination performance of a different nanoporous 2D material, nanoporous boron nitride (BN), by Molecular Dynamics simulation. Our calculations demonstrated that nanoporous BN allows for rapid water permeability with effective salt rejection. The permeability is not only two orders of magnitude higher than existing commercial techniques but also much higher than nanoporous graphene and molybdenum disulfide membranes. We further showed that the pores with B-h edges or with N-h edges present different desalination efficiency. Compared to N-h pores, B-h pores have better desalination performance in term of higher water flux. To the best of our knowledge, nanoporous BN is the 2D material having the highest water permeability thus far while maintaining high salt rejection. Overall, our results shed light on the potential advantages of using nanoporous BN for water purification.

Download Full-text

IMPACTS OF HYDROPHILIC NANOFILLERS ON SEPARATION PERFORMANCE OF THIN FILM NANOCOMPOSITE REVERSE OSMOSIS MEMBRANE

Jurnal Teknologi ◽

10.11113/jt.v78.10068 ◽

2016 ◽

Vol 78 (12) ◽

Author(s):

C. Y. Chong ◽

G. S. Lai ◽

W. J. Lau ◽

N. Yusof ◽

P. S. Goh ◽

...

Keyword(s):

Thin Film ◽

Water Permeability ◽

Interfacial Polymerization ◽

Pure Water ◽

Water Flux ◽

Water Desalination ◽

Separation Performance ◽

Salt Rejection ◽

Tfc Membrane ◽

Thin Film Nanocomposite

The membrane technology is still considered a costly method to produce potable water. In view of this, RO membrane with enhanced water permeability without trade-off in salt rejection is desirable as it could further reduce the cost for water desalination. In this study, thin film nanocomposite (TFN) membranes containing 0.05 or 0.10 w/v% hydrophilic nanofillers in polyamide layer were synthesized via interfacial polymerization of piperazine and trimesoyl chloride monomers. The resultant TFN membranes were characterized and compared with a control thin film composite (TFC) membrane. Results from the filtration experiments showed that TFN membranes exhibited higher water permeability, salt rejection and fouling resistance compared to that of the TFC membrane. Excessive amount of nanofillers incorporated in the membrane PA layer however negatively affected the cross-linking in the polymer matrix, thus deteriorating the membrane salt rejection. TFN membrane containing 0.05 w/v% of nanofillers showed better performances than the TFC membrane, recording a pure water flux of 11.2 L/m2∙h, and salt rejection of 95.4%, 97.3% and 97.5% against NaCl, Na2SO4 and MgSO4, respectively.

Download Full-text

Water desalination of a new three-dimensional covalent organic framework: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp01792b ◽

2020 ◽

Vol 22 (29) ◽

pp. 16978-16984 ◽

Cited By ~ 1

Author(s):

Yifan Zhang ◽

Timing Fang ◽

Quangang Hou ◽

Zhen Li ◽

Youguo Yan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Water Permeability ◽

Three Dimensional ◽

Rejection Rate ◽

High Water ◽

High Density ◽

Water Desalination ◽

Dynamics Simulation

Preparing a nanoporous membrane with high density and ordered pore sizes which allows high water permeability and salt rejection rate is the key to realize highly efficient desalination.

Download Full-text

Molecular Dynamics Simulation Study of Polyamide Membrane Structures and RO/FO Water Permeation Properties

Membranes ◽

10.3390/membranes8040127 ◽

2018 ◽

Vol 8 (4) ◽

pp. 127 ◽

Cited By ~ 3

Author(s):

Tomohisa Yoshioka ◽

Keisuke Kotaka ◽

Keizo Nakagawa ◽

Takuji Shintani ◽

Hao-Chen Wu ◽

...

Keyword(s):

Molecular Dynamics ◽

Water Permeability ◽

Md Simulation ◽

Sea Water ◽

Molecular Transport ◽

Dynamics Simulation ◽

Membrane Structures ◽

Water Permeation ◽

Salt Rejection ◽

Ion Rejection

Polyamide (PA) membranes possess properties that allow for selective water permeation and salt rejection, and these are widely used for reverse osmotic (RO) desalination of sea water to produce drinking water. In order to design high-performance RO membranes with high levels of water permeability and salt rejection, an understanding of microscopic PA membrane structures is indispensable, and this includes water transport and ion rejection mechanisms on a molecular scale. In this study, two types of virtual PA membranes with different structures and densities were constructed on a computer, and water molecular transport properties through PA membranes were examined on a molecular level via direct reverse/forward osmosis (RO/FO) filtration molecular dynamics (MD) simulations. A quasi-non-equilibrium MD simulation technique that uses applied (RO mode) or osmotic (FO mode) pressure differences of several MPa was conducted to estimate water permeability through PA membranes. A simple NVT (Number, Volume, and Temperature constant ensemble)-RO MD simulation method was presented and verified. The simulations of RO and FO water permeability for a dense PA membrane model without a support layer agreed with the experimental value in the RO mode. This PA membrane completely rejected Na+ and Cl− ions during a simulation time of several nano-seconds. The naturally dense PA structure showed excellent ion rejection. The effect that the void size of PA structure exerted on water permeability was also examined.

Download Full-text

Understanding the effect of chemical modification on water desalination in boron nitride nanotubes via molecular dynamics simulation

Desalination ◽

10.1016/j.desal.2019.03.014 ◽

2019 ◽

Vol 464 ◽

pp. 84-93 ◽

Cited By ~ 10

Author(s):

Li Zhang ◽

Lingjie Jia ◽

Jing Zhang ◽

Jiachen Li ◽

Lijun Liang ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Chemical Modification ◽

Boron Nitride Nanotubes ◽

Water Desalination ◽

Dynamics Simulation

Download Full-text

Molecular Dynamics Study of the Pore Formation in Single Layer Graphene Oxide by Thermal Reducing Process

Physical Chemistry Chemical Physics ◽

10.1039/d1cp00134e ◽

2021 ◽

Author(s):

Federico Raffone ◽

Filippo Savazzi ◽

Giancarlo Cicero

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Water Permeability ◽

Pore Formation ◽

Single Layer ◽

High Water ◽

Water Desalination ◽

Single Layer Graphene ◽

Layer Graphene ◽

Nanoporous Graphene

Nanoporous graphene is considered the next generation material for reverse osmosis water desalination providing both high water permeability and almost complete salt rejection. The main problem with graphene is the...

Download Full-text

Functionalized nanoporous graphene membrane for water desalination; Effect of feed salinity on permeability and salt rejection, a molecular dynamics study

Computational Materials Science ◽

10.1016/j.commatsci.2019.109399 ◽

2020 ◽

Vol 172 ◽

pp. 109399 ◽

Cited By ~ 2

Author(s):

Abdollah Golchoobi ◽

Saeideh Tasharrofi ◽

Hossein Taghdisian

Keyword(s):

Molecular Dynamics ◽

Water Desalination ◽

Salt Rejection ◽

Graphene Membrane ◽

Nanoporous Graphene

Download Full-text

Research on college gymnastics teaching model based on multimedia image and image texture feature analysis

Discover Internet of Things ◽

10.1007/s43926-021-00015-6 ◽

2021 ◽

Vol 1 (1) ◽

Author(s):

Ying Wu ◽

Jikun Liu

Keyword(s):

Human Body ◽

Rapid Development ◽

Texture Feature ◽

Texture Features ◽

Dynamics Simulation ◽

Image Texture ◽

Whole Body ◽

Database Modeling ◽

Rigid Model ◽

The Subject

AbstractWith the rapid development of gymnastics technology, novel movements are also emerging. Due to the emergence of various complicated new movements, higher requirements are put forward for college gymnastics teaching. Therefore, it is necessary to combine the multimedia simulation technology to construct the human body rigid model and combine the image texture features to display the simulation image in texture form. In the study, GeBOD morphological database modeling was used to provide the data needed for the modeling of the whole-body human body of the joint and used for dynamics simulation. Simultaneously, in order to analyze and summarize the technical essentials of the innovative action, this experiment compared and analyzed the hem stage of the cross-headstand movement of the subject and the hem stage of the 180° movement. Research shows that the method proposed in this paper has certain practical effects.

Download Full-text

Compressible and Flexible PPy@MoS2/C Microwave Absorption Foam with Strong Dielectric Polarization from 2D Semiconductor Intermediated Sandwich Structure

Nanoscale ◽

10.1039/d0nr08794g ◽

2021 ◽

Author(s):

Ziqi Yang ◽

Huiqiao Guo ◽

Wenbin You ◽

Zhengchen Wu ◽

Liting Yang ◽

...

Keyword(s):

Dielectric Property ◽

Molybdenum Disulfide ◽

Microwave Absorption ◽

Sandwich Structure ◽

Structural Engineering ◽

Two Dimensional ◽

Dielectric Polarization ◽

2D Material ◽

Major Trend

Structural engineering represents a major trend in two-dimensional (2D) material fields on microscopic interfacial electric/dielectric property and macroscopic device strategy. 2D Molybdenum disulfide (MoS2) with semiconductive feature and lamellar architecture...

Download Full-text