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1

Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membrane

Khataee, Alireza, Bayat, Golchehreh, Azamat, Jafar

Journal:

Journal of Molecular Graphics and Modelling

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

2

Separation of perchlorates from aqueous solution using functionalized graphene oxide nanosheets: a computational study

Ansari, Pariza, Azamat, Jafar, Khataee, Alireza

Journal:

Journal of Materials Science

Year:

2018

Language:

english

File:

PDF, 2.32 MB

english, 2018

3

Atomistic understanding of gas separation through nanoporous DDR-type zeolite membrane

Hasanzadeh, Amir, Pakdel, Siamak, Azamat, Jafar, Erfan-Niya, Hamid, Khataee, Alireza

Journal:

Chemical Physics

Year:

2021

File:

PDF, 383 KB

2021

4

Theoretical investigation of the removal of nitrate ions from contaminated aqueous solution using functionalized silicon carbide nanosheets

Journal:

Computational Materials Science

Year:

2021

File:

PDF, 5.96 MB

2021

5

Separation of a heavy metal from water through a membrane containing boron nitride nanotubes: molecular dynamics simulations

Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 2.51 MB

english, 2014

6

Separation of methane from different gas mixtures using modified silicon carbide nanosheet: Micro and macro scale numerical studies

Bayat, Golchehreh, Saghatchi, Roozbeh, Azamat, Jafar, Khataee, Alireza

Journal:

Chinese Journal of Chemical Engineering

Year:

2019

File:

PDF, 6.58 MB

2019

7

The permeation of potassium and chloride ions through nanotubes: a molecular simulation study

Azamat, Jafar, Sardroodi, Jaber Jahanbin

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

8

Separation of Carbon Dioxide and Nitrogen Gases through Modified Boron Nitride Nanosheets as a Membrane: Insights from Molecular Dynamics Simulations

Khataee, Alireza, Azamat, Jafar, Sadikoglu, Fahreddin

Journal:

Year:

2016

Language:

english

File:

PDF, 2.69 MB

english, 2016

9

Molecular insights into effective water desalination through functionalized nanoporous boron nitride nanosheet membranes

Jafarzadeh, Roghayeh, Azamat, Jafar, Erfan-Niya, Hamid, Hosseini, Mostafa

Journal:

Applied Surface Science

Year:

2019

Language:

english

File:

PDF, 1.19 MB

english, 2019

10

Molecular dynamics simulations of trihalomethanes removal from water using boron nitride nanosheets

Jafar Azamat,Alireza Khataee,Sang Woo Joo

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 1.88 MB

english, 2016

11

Functionalized graphene as a nanostructured membrane for removal of copper and mercury from aqueous solution: A molecular dynamics simulation study

Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo

Journal:

Journal of Molecular Graphics and Modelling

Year:

2014

Language:

english

File:

PDF, 2.04 MB

english, 2014

12

Molecular insights into water desalination performance of pristine graphdiyne nanosheet membrane

Banan Baghbani, Nasrin, Azamat, Jafar, Erfan-Niya, Hamid, Majidi, Sima, Khazini, Leila

Journal:

Journal of Molecular Graphics and Modelling

Year:

2020

File:

PDF, 1.61 MB

2020

13

Isopiestic determination of the osmotic coefficient and vapour pressure of N-R-4-(N,N-dimethylamino)pyridinium tetrafluoroborate (R = C4H9, C5H11, C6H13) in the ethanol solution at T = 298.15 K

Jaber Jahanbin Sardroodi, Maryam Atabay, Jafar Azamat

Journal:

The Journal of Chemical Thermodynamics

Year:

2012

Language:

english

File:

PDF, 278 KB

english, 2012

14

COMPARATIVE INVESTIGATION OF THE EFFECT OF TYPE OF DENSITY FUNCTIONAL IN THE DETERMINATION OF GEOMETRICAL PARAMETERS IN A Cu COMPLEX

SARDROODI, JABER JAHANBIN, RASTKAR, ALIREZA, YOUSEFNIA, NEGAR RAD, AZAMAT, JAFAR

Journal:

Journal of Theoretical and Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 231 KB

english, 2013

15

Molecular dynamics simulation of trihalomethanes separation from water by functionalized nanoporous graphene under induced pressure

Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo

Journal:

Chemical Engineering Science

Year:

2015

Language:

english

File:

PDF, 1.61 MB

english, 2015

16

Removal of trihalomethanes from aqueous solution through armchair carbon nanotubes: A molecular dynamics study

Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo, Yin, Binfeng

Journal:

Journal of Molecular Graphics and Modelling

Year:

2015

Language:

english

File:

PDF, 1.94 MB

english, 2015

17

Separation of copper and mercury as heavy metals from aqueous solution using functionalized boron nitride nanosheets: A theoretical study

Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 3.12 MB

english, 2015

18

A theoretical study of nanostructure membranes for separating Li+ and Mg2+ from Cl−

Azamat, Jafar, Balaei, Ali, Gerami, Mehdi

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 2.70 MB

english, 2016

19

Removal of nitrate ion from water using boron nitride nanotubes: Insights from molecular dynamics simulations

Azamat, Jafar, Khataee, Alireza

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 851 KB

english, 2016

20

Improving the Performance of Water Desalination through Ultra-Permeable Functionalized Nanoporous Graphene Oxide Membrane

Hosseini, Mostafa, Azamat, Jafar, Erfan-Niya, Hamid

Journal:

Applied Surface Science

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

21

Fluorine-functionalized nanoporous graphene as an effective membrane for water desalination

Jafarzadeh, Roghayeh, Azamat, Jafar, Erfan-Niya, Hamid

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 2.83 MB

english, 2018

22

Water desalination through fluorine-functionalized nanoporous graphene oxide membranes

Hosseini, Mostafa, Azamat, Jafar, Erfan-Niya, Hamid

Journal:

Materials Chemistry and Physics

Year:

2018

Language:

english

File:

PDF, 2.31 MB

english, 2018

23

Selective separation of methanol-water mixture using functionalized boron nitride nanosheet membrane: a computer simulation study

Journal:

Structural Chemistry

Year:

2019

Language:

english

File:

PDF, 1.16 MB

english, 2019

24

Water desalination across functionalized silicon carbide nanosheet membranes: insights from molecular simulations

Jafarzadeh, Roghayeh, Azamat, Jafar, Erfan-Niya, Hamid

Journal:

Structural Chemistry

Year:

2019

File:

PDF, 1.28 MB

2019

25

Isopiestic studies of thermodynamic properties of solutions of ampicillin sodium and penicillin sodium in water at T=298.15K

Azamat, Jafar, Ahmadian, Seyed Masood Seyed, Sardroodi, Jaber Jahanbin, Fouladian, Mahboubeh

Journal:

Fluid Phase Equilibria

Year:

2013

Language:

english

File:

PDF, 374 KB

english, 2013

26

Removal of heavy metals from water through armchair carbon and boron nitride nanotubes: a computer simulation study

Azamat, Jafar, Khataee, Alireza, Joo, Sang Woo

Journal:

Year:

2015

Language:

english

File:

PDF, 1.00 MB

english, 2015

27

Ion and Water Transport Through (7, 7) and (8, 8) Carbon and Boron Nitride Nanotubes of Different Electric Fields: A Molecular Dynamics Simulation Study

Azamat, Jafar, Sardroodi, Jaber Jahanbin

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2014

Language:

english

File:

PDF, 7.56 MB

english, 2014

28

Atomistic understanding of functionalized Î³-graphyne-1 nanosheet membranes for water desalination

Azamat, Jafar, Baghbani, Nasrin Banan, Erfan-Niya, Hamid

Journal:

Journal of Membrane Science

Year:

2020

Language:

english

File:

PDF, 3.79 MB

english, 2020

29

Removal of a hazardous heavy metal from aqueous solution using functionalized graphene and boron nitride nanosheets: Insights from simulations

Azamat, Jafar, Sattary, Batoul Shirforush, Khataee, Alireza, Joo, Sang Woo

Journal:

Journal of Molecular Graphics and Modelling

Year:

2015

Language:

english

File:

PDF, 2.77 MB

english, 2015

30

Functionalized Graphene Nanosheet as a Membrane for Water Desalination Using Applied Electric Fields: Insights from Molecular Dynamics Simulations

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.23 MB

english, 2016

31

Molecular dynamics simulations of removal of cyanide from aqueous solution using boron nitride nanotubes

Azamat, Jafar, Khataee, Alireza

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 1.94 MB

english, 2017

32

Separation of noble gases using CHA-type zeolite membrane: insights from molecular dynamics simulation

Hasanzadeh, Amir, Azamat, Jafar, Pakdel, Siamak, Erfan-Niya, Hamid, Khataee, Alireza

Journal:

Chemical Papers

Year:

2020

Language:

english

File:

PDF, 1.38 MB

english, 2020

33

Osmotic and activity coefficients in the binary solutions of 1-butyl-3-methylimidazolium chloride and bromide in methanol or ethanol at T = 298.15 K from isopiestic measurements

Jaber Jahanbin Sardroodi, Jafar Azamat, Maryam Atabay

Journal:

The Journal of Chemical Thermodynamics

Year:

2011

Language:

english

File:

PDF, 339 KB

english, 2011

34

Adsorption of CO2 and CH4 on Carbon and Silicon Carbide Nanotubes: A Molecular Simulation Study

Delbaz, Seyed Saeid, Shamlouei, Hamid Reza, Azamat, Jafar, Ahesteh, Mohammad Amin

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

35

Separation of nitrate ion from water using silicon carbide nanotubes as a membrane: Insights from molecular dynamics simulation

Khataee, Alireza, Azamat, Jafar, Bayat, Golchehreh

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 2.57 MB

english, 2016

36

Computational study on the removal of trihalomethanes from water using functionalized graphene oxide membranes

Ansari, Parisa, Azamat, Jafar, Khataee, Alireza

Journal:

Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.58 MB

english, 2019

37

A First Principles Study of Interaction of Water with Boron–Nitrogen Doped Adamantane Nano Block

Rastkar, Alireza, Azamat, Jafar, Sardroodi, Jaber Jahanbin, Mazaher, Elnaz, Afshari, Sadegh

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2015

Language:

english

File:

PDF, 1.34 MB

english, 2015

38

Computational study on the ability of functionalized graphene nanosheet for nitrate removal from water

Jahanshahi, Darian, Vahid, Behrouz, Azamat, Jafar

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.11 MB

english, 2018

39

Molecular dynamics simulation of ion separation and water transport through boron nitride nanotubes

Azamat, Jafar, Sardroodi, Jaber Jahanbin, Rastkar, Alireza

Journal:

DESALINATION AND WATER TREATMENT

Year:

2014

Language:

english

File:

PDF, 539 KB

english, 2014

40

The preferential permeation of ions across carbon and boron nitride nanotubes

Jaber Jahanbin Sardroodi, Jafar Azamat, Alireza Rastkar, Negar Rad Yousefnia

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.64 MB

english, 2012

41

Molecular dynamics simulation of non-covalent single-walled carbon nanotube functionalization with surfactant peptides

Barzegar, Abolfazl, Mansouri, Alireza, Azamat, Jafar

Journal:

Journal of Molecular Graphics and Modelling

Year:

2016

Language:

english

File:

PDF, 2.19 MB

english, 2016

42

Separation of cyanide from an aqueous solution using armchair silicon carbide nanotubes: insights from molecular dynamics simulations

Khataee, Alireza, Bayat, Golchehreh, Azamat, Jafar

Journal:

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

43

Molecular Dynamics Simulation of Water Purification using Zeolite MFI Nanosheets

Moein Rassoulinejad-Mousavi, Seyed, Azamat, Jafar, Khataee, Alireza, Zhang, Yuwen

Journal:

Separation and Purification Technology

Year:

2019

Language:

english

File:

PDF, 3.19 MB

english, 2019

44

MoS 2 nanosheet as a promising nanostructure membrane for gas separation

Azamat, Jafar, Khataee, Alireza

Journal:

Journal of Industrial & Engineering Chemistry

Year:

2018

Language:

english

File:

PDF, 1.13 MB

english, 2018

45

Molecular dynamics simulation of transport of water/DMSO and water/acetone mixtures through boron nitride nanotube

Azamat, Jafar, Sardroodi, Jaber Jahanbin, Mansouri, Kalleh, Poursoltani, Leila

Journal:

Fluid Phase Equilibria

Year:

2016

Language:

english

File:

PDF, 2.71 MB

english, 2016

46

Separation of CH4/C2H6 mixture using functionalized nanoporous silicon carbide nanosheet

Azamat, Jafar, Khataee, Alireza R.

Journal:

Year:

2018

Language:

english

File:

PDF, 929 KB

english, 2018

47

Isopiestic study of mixed electrolyte solution {yCuCl2 + (1 − y)CaCl2} in ethanol at T = 298.15 K

Seyed Masood Seyed Ahmadian, Jafar Azamat, Maryam Atabay

Journal:

Fluid Phase Equilibria

Year:

2012

Language:

english

File:

PDF, 436 KB

english, 2012

48

Computational study on the efficiency of MoS 2 membrane for removing arsenic from contaminated water

Azamat, Jafar, Khataee, Alireza, Sadikoglu, Fahreddin

Journal:

Journal of Molecular Liquids

Year:

2017

Language:

english

File:

PDF, 1.58 MB

english, 2017

49

Water desalination across functionalized silicon carbide nanosheet membranes: insights from molecular simulations

Jafarzadeh, Roghayeh, Azamat, Jafar, Erfan-Niya, Hamid

Journal:

Structural Chemistry

Year:

2019

Language:

english

File:

PDF, 1.28 MB

english, 2019

50

Molecular Dynamics Simulation of Water Purification using Zeolite MFI Nanosheets

Moein Rassoulinejad-Mousavi, Seyed, Azamat, Jafar, Khataee, Alireza, Zhang, Yuwen

Journal:

Separation and Purification Technology

Year:

2019

File:

PDF, 3.19 MB

2019

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