Nanopore Wall-Liquid Interaction under Scope of Molecular Dynamics Study: Review; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)

Nanopore Wall-Liquid Interaction under Scope of Molecular Dynamics Study: Review; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)

Bibliographic Details
Parent link:	AIP Conference Proceedings Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17).— 2017.— [020222, 9 p.]
Main Author:	Tsukanov A. A. Aleksey Alekseevich
Corporate Authors:	Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Кафедра физики высоких технологий в машиностроении (ФВТМ), Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Кафедра физики высоких технологий в машиностроении (ФВТМ) Сетевая научно-образовательная лаборатория "Медицинское материаловедение" (СНОЛ ММ)
Other Authors:	Psakhie S. G. Sergey Grigorievich
Summary:	Title screen The present review is devoted to the analysis of recent molecular dynamics based on the numerical studies of molecular aspects of solid-fluid interaction in nanoscale channels. Nanopore wall-liquid interaction plays the crucial role in such processes as gas separation, water desalination, liquids decontamination, hydrocarbons and water transport in nano-fractured geological formations. Molecular dynamics simulation is one of the most suitable tools to study molecular level effects occurred in such multicomponent systems. The nanopores are classified by their geometry to four groups: nanopore in nanosheet, nanotube-like pore, slit-shaped nanopore and soft-matter nanopore. The review is focused on the functionalized nanopores in boron nitride nanosheets as novel selective membranes and on the slit-shaped nanopores formed by minerals. Режим доступа: по договору с организацией-держателем ресурса
Language:	English
Published:	2017
Subjects:	электронный ресурс труды учёных ТПУ молекулярная динамика жидкости численные исследования нанопоры многокомпонентные системы наноматериалы nanomaterials molecular dynamics environmental studies organic compounds
Online Access:	https://doi.org/10.1063/1.5013903
Format:	Electronic Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=657181

Similar Items

Structure of Bicomponent Particles Synthesized from Colliding Metal Clusters; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
Published: (2017)

Degradation of Nitride Coatings in Low-Pressure Gas Discharge Plasma; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
Published: (2017)

Peculiarities of Molecular Hydrogen Behavior in Palladium Nanopores of Different Morphology; AIP Conference Proceedings; Vol. 1783 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
Published: (2016)

Molecular Dynamics Modeling of Bonding Two Materials by Atomic Scale Friction Stir Welding; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
by: Konovalenko I. S. Ivan Sergeevich
Published: (2017)

Prospects of Oil Field Development in Tomsk Region; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
by: Ilina M. N.
Published: (2017)

Molecular Dynamics Modeling of Bonding Two Materials by Atomic Scale Friction Stir Welding at Different Process Parameters; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
by: Konovalenko I. S. Ivan Sergeevich
Published: (2017)

Influence of the size and wall curvature of nanopores on the gas distribution pattern in them; Journal of Applied Mechanics and Technical Physics; Vol. 59, iss. 1
Published: (2018)

Evolution of Porous Structure and Texture in Nanoporous SiO[2]/Al[2]O[3] Materials during Calcination; AIP Conference Proceedings; Vol. 1783 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
by: Glazkova E. A. Elena
Published: (2016)

Atomistic modeling of phengite and molecular mechanisms of NH and K diffusional mobility in its structure; Applied Clay Science; Vol. 291
Published: (2026)

Synthesis of high-entropy Ti-Zr-Nb-Hf-Ta carbides and carbonitrides in high-speed arc discharge plasma jet; Journal of Alloys and Compounds; Vol. 1010
Published: (2025)

Computer-aided simulation of gas adsorption processes in nanopores; AIP Conference Proceedings; Vol. 1623 : International Conference on Physical Mesomechanics of Multilevel Systems 2014, Tomsk, Russia, 3–5 September 2014
Published: (2014)

Особенности поведения молекулярного водорода в палладиевых нанопорах различной морфологии; Перспективные материалы с иерархической структурой для новых технологий и надежных конструкций
Published: (2016)

Modeling the effect of the addition of alumina on structural characteristics and tensile deformation response of aluminosilicate glasses; Ceramics International; Vol. 46, iss. 13
Published: (2020)

About Structural Phase State of Coating Based on Zirconium Oxide Formed by Microplasma Oxidation Method; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
Published: (2017)

Synthesis, Crystal Structure, and Luminescent Properties of Ni(II), Zn(II), and Cd(II) Coordination Compounds with 1-(5-methyl-1H-pyrazol-3-yl)-1,2,3-Triazole-4-Carboxylic Acid; Journal of Structural Chemistry; Vol. 66, iss. 10
Published: (2025)

Experimental and computational insights into nitrogen retention and controlled release in glauconite-based nanocomposites; Journal of Molecular Liquids; Vol. 448
Published: (2026)

Feather-like structures in oxidized ultrananocrystalline diamond films; Applied Physics Letters; Vol. 128, iss. 12
Published: (2026)

Изменение структурно-группового состава смол и асфальтенов при воздействии на нефть металлических порошков; Известия Томского политехнического университета [Известия ТПУ]; Т. 325, № 3 : Химия и химические технологии
Published: (2014)

Моделирование каскада радиационных смещений в Zr методом молекулярной динамики; Перспективы развития фундаментальных наук; Т. 1 : Физика
by: Палей Н. С.
Published: (2025)

Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation; Coatings; Vol. 10, iss. 2
Published: (2020)

The chemistry of heterocycles in the 21st century; Russian Chemical Reviews; Vol. 93, iss. 7
Published: (2024)

New Deep Eutectic Solvents Based on Urea and Amino Acids in Efficient Syntheses of N-Carbamoylamino Acids; Russian Journal of General Chemistry; Vol. 89 iss. 7
Published: (2026)

Synthesis, Antibacterial Properties and Molecular Docking Studies of Nitrogen Substituted 9-(((4X-But-2-ynyloxy)methyl)-1,2,3-triazolyl)–Cinchona Alkaloid Conjugates; Molecules; Vol. 30, iss. 22
Published: (2025)

Molecular dynamics study of damage nearby silicon surface bombarded by energetic carbon ions; Surface and Coatings Technology; Vol. 385
Published: (2020)

Calculation of methane bubble optimum diameter in a bubble reactor; Перспективы развития фундаментальных наук; Т. 1 : Физика
by: Polisadov S. S.
Published: (2023)

Mild and General Protocol for Selective Deacetylation of Acetyl/Benzoyl-Protected Carbohydrates; Journal of Organic Chemistry; Vol. 89, iss.14
Published: (2025)

Состав экстрактивных веществ торфов осушенных и ненарушенных верховых болот Беларуси и Западной Сибири; Известия Томского политехнического университета [Известия ТПУ]; Т. 325, № 3 : Химия и химические технологии
Published: (2014)

Engineering of Supported Nanomaterials; Procedia Chemistry; Vol. 10 : Chemistry and Chemical Engineering in XXI century
by: Karla Juarez-Moreno
Published: (2014)

Влияние температуры и магнитного поля на взаимодействие электронных возбуждений в нанопорах анодированного алюминия; Известия вузов. Физика; Т. 54, № 1/2 : Радиационно-термические эффекты и процессы в неорганических материалах
Published: (2011)

Особенности взаимодействия молекулярного водорода со стенками в наноиористых материалах. компьютерное моделирование; Физическая мезомеханика; Т. 18, № 1
Published: (2015)

Obtaining a Composite Material for Varistor Ceramics in One Short-Time Operation Cycle of a Coaxial Magnetoplasma Accelerator; Energy Fluxes and Radiation Effects (EFRE-2020 online)
Published: (2020)

Hypervalent iodine in the structure of N-heterocycles: synthesis, structure, and application in organic synthesis; Chemistry of Heterocyclic Compounds; Vol. 56, iss. 7
Published: (2020)

Direct Intra-Patient Comparison of Scaffold Protein-Based Tracers, [99mTc]Tc-ADAPT6 and [99mTc]Tc-(HE)3-G3, for Imaging of HER2-Positive Breast Cancer; Cancers; Vol. 15 - iss. 12
Published: (2023)

Organic Chemistry in the Creation of Molecules with Practically Useful Properties; Russian Journal of General Chemistry; Vol. 96
Published: (2026)

Multiscale Fracture of Ti-Al-N Coatings under Uniaxial Tension; Physical Mesomechanics; Vol. 24, iss. 2
Published: (2021)

Clay mineral adsorption affinity for heavy metals: Experimental results and atomic-scale insights; Applied Surface Science; Vol. 750
Published: (2026)

A versatile synthetic approach to various 5-alkynyl modified isatin derivatives: Cytotoxicity, acetylcholinesterase inhibition activity and molecular modeling study; Bioorganic Chemistry; Vol. 165
Published: (2025)

Detection of Volatile Organic Compounds in Upland peat by Means of Proton-transfer-reaction Mass Spectrometry; Procedia Chemistry; Vol. 10 : Chemistry and Chemical Engineering in XXI century
by: Mezhibor A. M. Antonina Mikhailovna
Published: (2014)

Моделирование поведения кристаллита с межзеренной границей в условиях локального сдвигового нагружения; Современные проблемы науки и образования; № 6
Published: (2014)

Influence of Hydrogenation Regime on Structure, Phase Composition and Mechanical Properties of Fe18Cr9Ni0.5Ti0.08C Steel in Cold Rolling; AIP Conference Proceedings; Vol. 1909 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017 (AMHS’17)
Published: (2017)