相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Synergistic Behavior of Plant Proteins and Biobased Latexes in Bioplastic Food Packaging Materials: Experimental and Machine Learning Study
Kristen Patnode et al.
ACS APPLIED MATERIALS & INTERFACES (2022)
Experimental and Simulation Studies on Nonwoven Polypropylene- Nitrile Rubber Blend: Recycling of Medical Face Masks to an Engineering Product
George P. J. Varghese et al.
ACS OMEGA (2022)
Predicting glass transition of amorphous polymers by application of cheminformatics and molecular dynamics simulations
Anas Karuth et al.
POLYMER (2021)
Composite structures subjected to underwater explosive loadings: A comprehensive review
Phuong Tran et al.
COMPOSITE STRUCTURES (2021)
Computational Protein-Ligand Docking and Experimental Study of Bioplastic Films from Soybean Protein, Zein, and Natural Modifiers
Kristen Patnode et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)
Design and Control of Compostability in Synthetic Biopolyesters
Paresh Kumar Samantaray et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)
TRAVIS-A free analyzer for trajectories from molecular simulation
M. Brehm et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Molecular dynamics predictions of thermomechanical properties of an epoxy thermosetting polymer
Jiadi Fan et al.
POLYMER (2020)
An atomistic simulation study investigating the effect of varying network structure and polarity in a moisture contaminated epoxy network
Rishabh Debraj Guha et al.
COMPUTATIONAL MATERIALS SCIENCE (2020)
Simulations of the Biodegradation of Citrate-Based Polymers for Artificial Scaffolds Using Accelerated Reactive Molecular Dynamics
Nabankur Dasgupta et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors
Meade E. Erickson et al.
MOLECULES (2020)
Moisture Ingress at the Molecular Scale in Hygrothermal Aging of Fiber-Epoxy Interfaces
Filip Vukovic et al.
ACS APPLIED MATERIALS & INTERFACES (2020)
Synthesis and Swelling Behavior of Highly Porous Epoxy Polymers
Majid Sharifi et al.
ACS OMEGA (2020)
Accelerated ReaxFF Simulations for Describing the Reactive Cross-Linking of Polymers
Aniruddh Vashisth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Improvement of the ReaxFF Description for Functionalized Hydrocarbon/Water Weak Interactions in the Condensed Phase
Weiwei Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Energy dissipation characteristics of crosslinks in natural rubber: an assessment using low and high-frequency analyzer
K. Anas et al.
JOURNAL OF POLYMER ENGINEERING (2018)
A Computational Structure-Property Relationship Study of Glass Transition Temperatures for a Diverse Set of Polymers
Min Chen et al.
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS (2018)
Diffusion and hydrolysis effects during water aging on an epoxyanhydride system
Guillermina Capiel et al.
POLYMER DEGRADATION AND STABILITY (2018)
Effect of chemical structure on thermo-mechanical properties of epoxy polymers: Comparison of accelerated ReaxFF simulations and experiments
Aniruddh Vashisth et al.
POLYMER (2018)
Characteristics of water absorption in amine-cured epoxy networks: a molecular simulation and experimental study
Dujuan Zhang et al.
SOFT MATTER (2018)
QSPR Modeling of the Refractive Index for Diverse Polymers Using 2D Descriptors
Pathan Mohsin Khan et al.
ACS OMEGA (2018)
Characterization and atomistic modeling of the effect of water absorption on the mechanical properties of thermoset polymers
T. Cui et al.
ACTA MECHANICA (2018)
Effects of water on epoxy cure kinetics and glass transition temperature utilizing molecular dynamics simulations
Nathan Sharp et al.
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS (2017)
Enhancement of corrosion protection performance of epoxy coating by introducing new hydrogenphosphate compound
M. A. Deyab et al.
PROGRESS IN ORGANIC COATINGS (2017)
Molecular Mechanics of the Moisture Effect on Epoxy/Carbon Nanotube Nanocomposites
Lik-ho Tam et al.
NANOMATERIALS (2017)
Refractive indices of diverse data set of polymers: A computational QSPR based study
Farukh Jabeen et al.
COMPUTATIONAL MATERIALS SCIENCE (2017)
Polymer Coating Materials and Their Fouling Release Activity: A Cheminformatics Approach to Predict Properties
Bakhtiyor Rasulev et al.
ACS APPLIED MATERIALS & INTERFACES (2017)
Effects of moisture exposure on the crosslinked epoxy system: an atomistic study
S. Masoumi et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2016)
QSAR aided design and development of biopolymer-based SPE phase for liquid chromatographic analysis of polycyclic aromatic hydrocarbons in environmental water samples
Chukwunonso Peter Okoli et al.
RSC ADVANCES (2016)
The ReaxFF reactive force-field: development, applications and future directions
Thomas P. Senftle et al.
NPJ COMPUTATIONAL MATERIALS (2016)
Monitoring and simulations of hydrolysis in epoxy matrix composites during hygrothermal aging
Jalal El Yagoubi et al.
COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING (2015)
A molecular dynamics study of water transport inside an epoxy polymer matrix
Sudharsan Pandiyan et al.
COMPUTATIONAL MATERIALS SCIENCE (2015)
Molecular dynamics study on the tensile deformation of cross-linking epoxy resin
Dong R. Xin et al.
JOURNAL OF MOLECULAR MODELING (2015)
Effect of water in amorphous polyvinyl formal: insights from molecular dynamics simulation
Qiang Yin et al.
JOURNAL OF MOLECULAR MODELING (2015)
Study of Metal/Epoxy Interfaces between Epoxy Precursors and Metal Surfaces Using a Newly Developed Reactive Force Field for Alumina-Amine Adhesion
F. O. Valega Mackenzie et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Revisiting the Mechanism of Neutral Hydrolysis of Esters: Water Autoionization Mechanisms with Acid or Base Initiation Pathways
Poliana Lima da Silva et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
ReaxFF-/g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials
Lianchi Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Molecular Dynamics Study of Acid-Catalyzed Hydrolysis of Dimethyl Ether in Aqueous Solution
Xiao Liang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Molecular modeling of crosslinked epoxy polymers: The effect of crosslink density on thermomechanical properties
Ananyo Bandyopadhyay et al.
POLYMER (2011)
Molecular modeling for calculation of mechanical properties of epoxies with moisture ingress
T. C. Clancy et al.
POLYMER (2009)
Correlation between water diffusion and adhesion loss: Study of an epoxy primer on steel
Elise Legghe et al.
PROGRESS IN ORGANIC COATINGS (2009)
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
Kimberly Chenoweth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Environmental degradation of epoxy-organoclay nanocomposites due to UV exposure. Part 1: Photo-degradation
Ricky S. C. Woo et al.
COMPOSITES SCIENCE AND TECHNOLOGY (2007)
Atomistic simulation study of absorbed water influence on structure and properties of crosslinked epoxy resin
Chaofu Wu et al.
POLYMER (2007)
Water absorption mechanism and some anomalous effects on the mechanical and viscoelastic behavior of an epoxy system
GC Papanicolaou et al.
JOURNAL OF APPLIED POLYMER SCIENCE (2006)
Free/bound water absorption in an epoxy adhesive
S Popineau et al.
POLYMER (2005)
Investigation of moisture diffusion in epoxy system: Experiments and molecular dynamics simulations
YC Lin et al.
CHEMICAL PHYSICS LETTERS (2005)
Simulations on the thermal decomposition of a poly(dimethylsiloxane) polymer using the ReaxFF reactive force field
K Chenoweth et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Fibre reinforced composites in aircraft construction
C Soutis
PROGRESS IN AEROSPACE SCIENCES (2005)
Nucleophile assisted hydrolysis of carbon-oxygen bonds in ethers
C Polydore et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2002)
Probing the molecular interactions in the diffusion of water through epoxy and epoxy-bismaleimide networks
P Musto et al.
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS (2002)
Chemistry with ADF
G te Velde et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)
Rheological behavior and gel-point determination for a model Lewis acid-initiated chain growth epoxy resin
S Mortimer et al.
MACROMOLECULES (2001)