Cargando…

Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations

We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation and measured by neutron scattering on protonated samples reported in previo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Khairy, Yasmin, Alvarez, Fernando, Arbe, Arantxa, Colmenero, Juan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7927061/ https://www.ncbi.nlm.nih.gov/pubmed/33672368 http://dx.doi.org/10.3390/polym13040670

Ejemplares similares

Insight into the Structure and Dynamics of Polymers by Neutron Scattering Combined with Atomistic Molecular Dynamics Simulations
por: Arbe, Arantxa, et al.
Publicado: (2020)

Disentangling Component Dynamics in an All-Polymer Nanocomposite Based on Single-Chain Nanoparticles by Quasielastic Neutron Scattering
por: Maiz, Jon, et al.
Publicado: (2022)

Disentangling the Calorimetric Glass-Transition Trace in Polymer/Oligomer Mixtures from the Modeling of Dielectric Relaxation and the Input of Small-Angle Neutron Scattering
por: Shafqat, Numera, et al.
Publicado: (2022)

Thermal Degradation of Fractionated High and Low Molecular Weight Polyisobutylene
por: McIntyre, D., et al.
Publicado: (1964)

Polyisobutylene—New Opportunities for Medical Applications
por: Barczikai, Dóra, et al.
Publicado: (2021)

The use of polyisobutylene-based polymers in ophthalmology
por: Pinchuk, Leonard
Publicado: (2021)

Polyisobutylenes with Controlled Molecular Weight and Chain-End Structure: Synthesis and Actual Applications
por: Nifant’ev, Ilya E., et al.
Publicado: (2023)

Synthesis of linear and star-shaped telechelic polyisobutylene by cationic polymerization
por: Yu, Zhaopeng, et al.
Publicado: (2022)

Local Domain Size in Single-Chain Polymer Nanoparticles
por: Pomposo, José A., et al.
Publicado: (2018)

Collective Motions and Mechanical Response of a Bulk of Single-Chain Nano-Particles Synthesized by Click-Chemistry
por: Maiz, Jon, et al.
Publicado: (2020)

Design of cross-linked polyisobutylene matrix for efficient encapsulation of quantum dots
por: Prudnikau, Anatol, et al.
Publicado: (2021)

Polyisobutylene Urolithiasis Due to Ileal Conduit Urostomy Appliance: An Index Case
por: Avallone, Michael A., et al.
Publicado: (2015)

Microscopic Evidence for the Topological Transition in Model Vitrimers
por: Arbe, Arantxa, et al.
Publicado: (2023)

Polyisobutylene and Silicone in Warm Edge Glazing Systems—Evaluation of Long-Term Performance
por: Cwyl, Maciej, et al.
Publicado: (2021)

Rate of Formation of Industrial Lubricant Additive Precursors from Maleic Anhydride and Polyisobutylene
por: Streets, Jessica, et al.
Publicado: (2022)

Asphaltene-Stabilized Polyisobutylene Pressure-Sensitive Adhesives for Ultraviolet Protection and Surface Bonding
por: Melekhina, Viktoria Y., et al.
Publicado: (2023)

Dynamic Processes and Mechanisms Involved in Relaxations of Single-Chain Nano-Particle Melts
por: Maiz, Jon, et al.
Publicado: (2021)

Synthesis of Tosyl- and Nosyl-Ended Polyisobutylenes with High Extent of Functionalities: The Effect of Reaction Conditions
por: Pásztói, Balázs, et al.
Publicado: (2020)

UV induced reversible chain extension of 1-(2-anthryl)-1-phenylethylene functionalized polyisobutylene
por: Ozguc Onal, Cimen, et al.
Publicado: (2017)

Controlled Ring-Opening Metathesis Polymerization with Polyisobutylene-Bound Pyridine-Ligated Ru(II) Catalysts
por: Suriboot, Jakkrit, et al.
Publicado: (2016)

Disentangling of Local and Wide-Field Motion Adaptation
por: Li, Jinglin, et al.
Publicado: (2021)

Advances in the Multi-Orthogonal Folding of Single Polymer Chains into Single-Chain Nanoparticles
por: Blazquez-Martín, Agustín, et al.
Publicado: (2021)

Characterization of Polyisobutylene Succinic Anhydride (PIBSA) and Its PIBSI Products from the Reaction of PIBSA with Hexamethylene Diamine
por: Frasca, Franklin, et al.
Publicado: (2023)

Disentangling Random Motion and Flow in a Complex Medium
por: Koslover, Elena F., et al.
Publicado: (2016)

Neat Protein Single-Chain Nanoparticles from Partially Denatured BSA
por: Malo de Molina, Paula, et al.
Publicado: (2022)

Diffusion bonding of Cu atoms with molecular dynamics simulations
por: Xydou, A, et al.
Publicado: (2020)

Synthesis and characterization of hydroxyl-terminated butadiene-end-capped polyisobutylene and its use as a diol for polyurethane preparation
por: Wu, Kangda, et al.
Publicado: (2020)

Microscopic versus Macroscopic Glass Transitions and Relevant Length Scales in Mixtures of Industrial Interest
por: Shafqat, Numera, et al.
Publicado: (2023)

Disentangling locus of perceptual learning in the visual hierarchy of motion processing
por: Zhang, Ruyuan, et al.
Publicado: (2019)

Prediction of self‐diffusion coefficients of chemically diverse pure liquids by all‐atom molecular dynamics simulations
por: Baba, Hiromi, et al.
Publicado: (2022)

Disentanglement Dynamics in Nonequilibrium Environments
por: Chen, Mingli, et al.
Publicado: (2022)

Visualizing Functional Motions of Membrane Transporters with Molecular Dynamics Simulations
por: Shaikh, Saher A., et al.
Publicado: (2013)

Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics Simulations
por: Cheng, Shanmei, et al.
Publicado: (2017)

Phase-Field Simulations at the Atomic Scale in Comparison to Molecular Dynamics
por: Berghoff, Marco, et al.
Publicado: (2013)

Molecular Dynamics Simulation of Atomic Interactions in the Vancomycin Binding Site
por: Olademehin, Olatunde P., et al.
Publicado: (2020)

mDCC_tools: characterizing multi-modal atomic motions in molecular dynamics trajectories
por: Kasahara, Kota, et al.
Publicado: (2016)

Creeping Motion of Self Interstitial Atom Clusters in Tungsten
por: Zhou, Wang Huai, et al.
Publicado: (2014)

Coupling all-atom molecular dynamics simulations of ions in water with Brownian dynamics
por: Erban, Radek
Publicado: (2016)

Physical properties of the HIV-1 capsid from all-atom molecular dynamics simulations
por: Perilla, Juan R., et al.
Publicado: (2017)

Exploring the misfolding and self-assembly mechanism of TTR (105–115) peptides by all-atom molecular dynamics simulation
por: Zhang, Yuqi, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_smfkg335lfelqmdi3cv2mm59l6