Nanoscopic insights of saline water in carbon nanotube appended filters using molecular dynamics simulations

Sahu, Pooja; Ali, Sk. Musharaf; Shenoy, K.T.; Mohan, Sadhana

doi:10.1039/c9cp00648f

Cited by 20 publications

(20 citation statements)

References 65 publications

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“…H-H 54,65 (m H = 1.0079) 2.96 0.0727375 D-D 54,65 (m D = 2.01410) 2.95 0.069759 T-T 54,65 (m T = 3.01605) 2.94 0.0667805 Si-C piston53 0.0 0.0 O-C piston53 0.0 0.0 C piston -C piston52, 66 3.4 0.070072 C piston -H 3.18 0.0 C piston -D 3.175 0.0 C piston -T 3.17 0.0 Si-H 67 1.65 0.0 Si-D 67 1.65 0.0 Si-T 67 1.65 0.0 O-H 67 2.58 0.02829 O-D 67 2.575 0.027705 O-T 67 2.57 0.027107 H-D 54 2.955 0.071232684 H-T 54 2.95 0.069695384 D-T 54 2.945 0.068253505 2.2.2 Effect of temperature on H 2 permeation through silica of density model 2.0 g cm −3 . The membrane of density model 2.0 g cm −3 was selected for the study.…”

Section: Nemd Simulations For H 2 and Isotope Permeation Through Sili...mentioning

confidence: 99%

An atomistic perspective on the diffusion and permeation of hydrogen and isotopes through an engineered nanoporous silica membrane using molecular dynamics simulations

Sahu

Ali

2022

Mol. Syst. Des. Eng.

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Section: Nemd Simulations For H 2 and Isotope Permeation Through Sili...mentioning

confidence: 99%

An atomistic perspective on the diffusion and permeation of hydrogen and isotopes through an engineered nanoporous silica membrane using molecular dynamics simulations

Sahu

Ali

2022

Mol. Syst. Des. Eng.

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“…[ 81 ] Corresponding MD simulations also confirmed the rapid transport of water between GO sheets. [ 82 ] However, Xu et al. reported a breakdown of fast water transport because of the presence of chemical functionalization and relaxation of nanoconfinement in GO sheets.…”

Section: Abnormal Phenomena Of Water In Artificial Confinementmentioning

confidence: 99%

Abnormal Properties of Low‐Dimensional Confined Water

Wang

Tian

Jiang

2021

Small

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Water molecules confined to low‐dimensional spaces exhibit unusual properties compared to bulk water. For example, the alternating hydrophilic and hydrophobic nanodomains on flat silicon wafer can induce the abnormal spreading of water (contact angles near 0°) which is caused by the 2D capillary effect. Hence, exploring the physicochemical properties of confined water from the nanoscale is of great value for understanding the challenges in material science and promoting the applications of nanomaterials in the fields of mass transport, nanofluidic designing, and fuel cell. The knowledge framework of confined water can also help to better understand the complex functions of the hydration layer of biomolecules, and even trace the origin of life. In this review, the physical properties, abnormal behaviors, and functions of the confined water are mainly summarized through several common low‐dimensional water formats in the fields of solid/air–water interface, nanochannel confinement, and biological hydration layer. These researches indicate that the unusual behaviors of the confined water depend strongly on the confinement size and the interaction between the molecules and confining surface. These diverse properties of confined water open a new door to materials science and may play an important role in the future development of biology.

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“…This is due to the large concentration of CNT in these glasses. Moreover, the large stability of CNT in saline water is attributed to an extremely high salt rejection capability [108]. The variation of weight loss in distilled water of the glass samples GCNT0.1, GCNT0.…”

Section: Effect Of Saline Fluid Distilled Water and Hydrochloric Acidmentioning

confidence: 99%

Synthesis of Bioactive Glasses SiO2-Al2O3-MgO-K2CO3-CaO-MgF2 -CNT: Structural, Mechanical and Biological Properties

Gautam¹,

Shweta²,

Dey³

et al. 2021

Preprint

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Six glass compositions were synthesized using a melt quenching technique reinforced with different concentrations of carbon nanotubes (CNTs) from 0.1 to 0.7% in the glassy system SiO2-Al2O3-MgO-K2CO3-CaO-MgF2. Density and molar volumes were estimated by employing a liquid displacement method. In the present study, the reinforcement effect of CNTs was explained using several spectroscopic techniques i.e. Fourier transform infrared (FTIR), ultraviolet-visible (UV-Vis), Raman, and nuclear magnetic resonance (NMR) spectroscopy respectively. Based on Tauc plots of the UV-Vis spectra, the energy band gap was determined and their values decreased from 4.33 to 3.9 eV. Contact angle measurements were performed to check the wettability of the glasses. 29Si-MAS-NMR spectroscopic study showed the random distribution of two dissimilar Ca2+ and Mg2+ ions within these glasses which lead to structural and topological frustration. To check the cell viability, MTT and alkaline phosphatase (ALP) assay were also performed. Owing to outstanding stability in various fluids like saline water, distilled water, and hydrochloric acid, the synthesized glasses exhibited functional activities with an adequate proliferation of rat calverail osteoblast (ROB) cell. Consequently, based on the various characterization techniques such as mechanical, tribological, and biological activities, the fabricated bioactive glassy material can be used for biomedical and multifunctional applications.

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Nanoscopic insights of saline water in carbon nanotube appended filters using molecular dynamics simulations

Abstract: Nanotube appended membranes are shown to be very promising due to their ultrafast water transport and very high salt rejection ability.

Cited by 20 publications

References 65 publications

An atomistic perspective on the diffusion and permeation of hydrogen and isotopes through an engineered nanoporous silica membrane using molecular dynamics simulations

An atomistic perspective on the diffusion and permeation of hydrogen and isotopes through an engineered nanoporous silica membrane using molecular dynamics simulations

Abnormal Properties of Low‐Dimensional Confined Water

Synthesis of Bioactive Glasses SiO2-Al2O3-MgO-K2CO3-CaO-MgF2 -CNT: Structural, Mechanical and Biological Properties

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