Cargando…

The Transport Properties of Semi-Crystalline Polyetherimide BPDA-P3 in Amorphous and Ordered States: Computer Simulations

The effect of polymer chain ordering on the transport properties of the polymer membrane was examined for the semi-crystalline heterocyclic polyetherimide (PEI) BPDA-P3 based on 3,3′,4,4′-biphenyltetracarboxylic dianhydride (BPDA) and diamine 1,4-bis [4-(4-aminophenoxy)phenoxy]benzene (P3). All-atom...

Descripción completa

Detalles Bibliográficos
Autores principales:	Dobrovskiy, Alexey Y., Nazarychev, Victor M., Volgin, Igor V., Lyulin, Sergey V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9504751/ https://www.ncbi.nlm.nih.gov/pubmed/36135875 http://dx.doi.org/10.3390/membranes12090856

Ejemplares similares

Atomistic Molecular Dynamics Simulations of the Initial Crystallization Stage in an SWCNT-Polyetherimide Nanocomposite
por: Nazarychev, Victor M., et al.
Publicado: (2017)

Structural Ordering in SWCNT-Polyimide Nanocomposites and Its Influence on Their Mechanical Properties
por: Larin, Sergey V., et al.
Publicado: (2018)

The Effect of Mechanical Elongation on the Thermal Conductivity of Amorphous and Semicrystalline Thermoplastic Polyimides: Atomistic Simulations
por: Nazarychev, Victor M., et al.
Publicado: (2023)

Machine Learning with Enormous “Synthetic” Data Sets: Predicting Glass Transition Temperature of Polyimides Using Graph Convolutional Neural Networks
por: Volgin, Igor V., et al.
Publicado: (2022)

Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives
por: Tolmachev, Dmitry, et al.
Publicado: (2022)

Correction: Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins
por: Volgin, Igor V., et al.
Publicado: (2020)

Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins
por: Glova, Artyom D., et al.
Publicado: (2019)

Toward Predictive Molecular Dynamics Simulations of Asphaltenes in Toluene and Heptane
por: Glova, Artyom D., et al.
Publicado: (2019)

Cooling-Rate Computer Simulations for the Description of Crystallization of Organic Phase-Change Materials
por: Nazarychev, Victor M., et al.
Publicado: (2022)

Transport Properties of Thermoplastic R-BAPB Polyimide: Molecular Dynamics Simulations and Experiment
por: Volgin, Igor V., et al.
Publicado: (2019)

Mechanical properties of amorphous and semi-crystalline semi-aromatic polyamides
por: Djukic, Stéphanie, et al.
Publicado: (2020)

BPDA - A Bayesian peptide detection algorithm for mass spectrometry
por: Sun, Youting, et al.
Publicado: (2010)

The Effect of Conformation Order on Gas Separation Properties of Polyetherimide Ultem Films
por: Kostina, Julia, et al.
Publicado: (2020)

Influence of Ambient Temperature on Part Distortion: A Simulation Study on Amorphous and Semi-Crystalline Polymer
por: Antony Samy, Anto, et al.
Publicado: (2022)

Rheological and Mechanical Properties of Thermoplastic Crystallizable Polyimide-Based Nanocomposites Filled with Carbon Nanotubes: Computer Simulations and Experiments
por: Nazarychev, Victor M., et al.
Publicado: (2022)

Influence of Heating Rate on the Structure and Mechanical Properties of Aromatic BPDA–PDA Polyimide Fiber
por: Yang, Wenke, et al.
Publicado: (2020)

Enhancement of Flame Retardancy of Colorless and Transparent Semi-Alicyclic Polyimide Film from Hydrogenated-BPDA and 4,4′-oxydianiline via the Incorporation of Phosphazene Oligomer
por: Wu, Xiao, et al.
Publicado: (2020)

Structure–Property Relationship of Polyetherimide Fibers Filled with Carbon Nanoparticles
por: Ivan’kova, Elena M., et al.
Publicado: (2020)

Biobased chiral semi-crystalline or amorphous high-performance polyamides and their scalable stereoselective synthesis
por: Stockmann, Paul N., et al.
Publicado: (2020)

Fingerprint of semi-crystalline structure memory in the thermal and ionic conduction properties of amorphous ureasil–polyether hybrid solid electrolytes
por: Palácio, Gustavo, et al.
Publicado: (2022)

Amorphous chalcogels with local crystallinity
por: Yang, Lijun, et al.
Publicado: (2022)

Investigation of Polyetherimide Melt-Extruded Fibers Modified by Carbon Nanoparticles
por: Ivan’kova, Elena, et al.
Publicado: (2021)

A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide
por: Correa, Andrea, et al.
Publicado: (2021)

Molecular Dynamics Simulations of Substrate Hydrophilicity and Confinement Effects in Capped Nafion Films
por: Sengupta, Soumyadipta, et al.
Publicado: (2018)

Grafting-Induced Structural Ordering of Lactide Chains
por: Glova, Artyom D., et al.
Publicado: (2019)

Tunneling systems in amorphous and crystalline solids
por: Esquinazi, Pablo
Publicado: (1998)

The first amorphous and crystalline yttrium lactate: synthesis and structural features
por: Yapryntsev, A. D., et al.
Publicado: (2021)

Polyetherimide-Reinforced Smart Inlays for Bondline Surveillance in Composites
por: von der Heide, Chresten, et al.
Publicado: (2022)

Control of Particle Properties in Thermally-Induced Precipitation of Polyetherimide
por: Unger, Laura, et al.
Publicado: (2023)

Multiscale Simulation of Semi-Crystalline Polymers to Predict Mechanical Properties
por: Horn, Tobias Daniel, et al.
Publicado: (2021)

Nested order-disorder framework containing a crystalline matrix with self-filled amorphous-like innards
por: Bu, Kejun, et al.
Publicado: (2022)

Crystalline–Amorphous Nanostructures: Microstructure, Property and Modelling
por: Wei, Bingqiang, et al.
Publicado: (2023)

Probing thermal transport across amorphous region embedded in a single crystalline silicon nanowire
por: Zhao, Yunshan, et al.
Publicado: (2020)

Adhesion and Proliferation of Osteoblast-Like Cells on Porous Polyetherimide Scaffolds
por: Zhang, Yanbo, et al.
Publicado: (2018)

The Effect of Modification on the Properties of Polyetherimide and Its Carbon-Filled Composite
por: Slonov, Azamat, et al.
Publicado: (2020)

Experimental Investigation and Numerical Simulation for Corrosion Rate of Amorphous/Nano-Crystalline Coating Influenced by Temperatures
por: Al-Abboodi, Hamid, et al.
Publicado: (2021)

Antiferromagnetic Ordering and Transport Anomalies in Single-Crystalline CeAgAs(2)
por: Szlawska, Maria, et al.
Publicado: (2020)

The Continuum Approach to the Description of Semi-Crystalline Polymers Deformation Regimes: The Role of Dynamic and Translational Defects
por: Grinyaev, Yurii V., et al.
Publicado: (2018)

The effect of negative pressures on the superconductivity of amorphous and crystalline bismuth
por: Quiroga, Flor B., et al.
Publicado: (2022)

Energetic electron irradiations of amorphous and crystalline sulphur-bearing astrochemical ices
por: Mifsud, Duncan V., et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_6dcip08oc3u9cg3uq72g9c6frd