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。Characterisation of pyrolysis kinetics and detailed gas species formations of engineering polymers via reactive molecular dynamics (ReaxFF)
T. B. Y. Chen et al.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2021)
Atomistic simulations of Epoxy/Water/Aluminum systems using the ReaxFF method
Mohammad Soleymanibrojeni et al.
COMPUTATIONAL MATERIALS SCIENCE (2020)
Preparation of a positively charged NF membrane by evaporation deposition and the reaction of enPEI on the surface of the C-PES/PES blend UF membrane
Maryam Bagheri et al.
PROGRESS IN ORGANIC COATINGS (2020)
ReaxFF Reactive Force Field Study of Polymerization of a Polymer Matrix in a Carbon Nanotube-Composite System
Behzad Damirchi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
ReaxFF Simulations of Laser-Induced Graphene (LIG) Formation for Multifunctional Polymer Nanocomposites
Aniruddh Vashisth et al.
ACS APPLIED NANO MATERIALS (2020)
Multiscale modeling of PEEK using reactive molecular dynamics modeling and micromechanics
William A. Pisani et al.
POLYMER (2019)
Preparation of thin film composite nano-filtration membranes for brackish water softening based on the reaction between functionalized UF membranes and polyethyleneimine
Farideh Zarei et al.
JOURNAL OF MEMBRANE SCIENCE (2019)
Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides
Dooman Akbarian et al.
POLYMER (2019)
Molecular dynamics simulation on the effect of water uptake on hydrogen bond network for OH- conduction in imidazolium-g-PPO membrane
Jun Huo et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)
Molecular dynamics simulation on the physical properties of the novel designed poly-(phthalazinone ether sulfone ketone) (PPESK)
Yao Shu et al.
COMPUTATIONAL MATERIALS SCIENCE (2018)
A ReaxFF-Based Molecular Dynamics Simulation of the Pyrolysis Mechanism for Polycarbonate
Tong Zhao et al.
ENERGY & FUELS (2018)
Low-Pressure Nanofiltration Hollow Fiber Membranes for Effective Fractionation of Dyes and Inorganic Salts in Textile Wastewater
Gang Han et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2018)
Accelerated ReaxFF Simulations for Describing the Reactive Cross-Linking of Polymers
Aniruddh Vashisth et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Investigating structure property relations of poly (p-phenylene terephthalamide) fibers via reactive molecular dynamics simulations
Dundar E. Yilmaz et al.
POLYMER (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)
Reactive molecular dynamics simulations on the thermal decomposition of poly alpha-methyl styrene
Shide Hu et al.
JOURNAL OF MOLECULAR MODELING (2017)
Polyamide-imide hollow fiber membranes crosslinked with amine-appended inorganic networks for application in solvent-resistant nanofiltration under low operating pressure
Siow Kee Lim et al.
JOURNAL OF MEMBRANE SCIENCE (2016)
Molecular dynamics simulation study of carboxylated and sulfonated poly(arylene ether sulfone) membranes for fuel cell applications
Fatemeh Khodaparast-Kazeroonian et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2015)
Crosslinked layer-by-layer polyelectrolyte nanofiltration hollow fiber membrane for low-pressure water softening with the presence of SO42- in feed water
Chang Liu et al.
JOURNAL OF MEMBRANE SCIENCE (2015)
Sub-10 nm polyamide nanofilms with ultrafast solvent transport for molecular separation
Santanu Karan et al.
SCIENCE (2015)
Predicting mechanical response of crosslinked epoxy using ReaxFF
Gregory M. Odegard et al.
CHEMICAL PHYSICS LETTERS (2014)
Dual layer composite nanofiltration hollow fiber membranes for low-pressure water softening
Laurentia Setiawan et al.
POLYMER (2014)
Interfacially polymerized composite nanofiltration hollow fiber membranes for low-pressure water softening
Wangxi Fang et al.
JOURNAL OF MEMBRANE SCIENCE (2013)
Simulation of Titanium Metal/Titanium Dioxide Etching with Chlorine and Hydrogen Chloride Gases Using the ReaxFF Reactive Force Field
Sung-Yup Kim et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Molecular dynamics simulation study of proton diffusion in polymer electrolyte membranes based on sulfonated poly (ether ether ketone)
Ghasem Bahlakeh et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2012)
A reactive molecular dynamics simulation of the silica-water interface
Joseph C. Fogarty et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Impacts of support membrane structure and chemistry on polyamide-polysulfone interfacial composite membranes
Asim K. Ghosh et al.
JOURNAL OF MEMBRANE SCIENCE (2009)
ReaxFF Reactive Force Field for the Y-Doped BaZrO3 Proton Conductor with Applications to Diffusion Rates for Multigranular Systems
Adri C. T. van Duin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
A new reactive potential for the molecular dynamics simulation of liquid water
Detlef W. M. Hofmann et al.
CHEMICAL PHYSICS LETTERS (2007)
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)
Preparation of porous polysulfone beads for selective removal of endocrine disruptors
CS Zhao et al.
SEPARATION AND PURIFICATION TECHNOLOGY (2004)
Functional group accessibility in hydrogen-bonded polymer blends. 4. Cross-linking effects
Y Hu et al.
MACROMOLECULES (2002)
The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa
AK Soper
CHEMICAL PHYSICS (2000)
分享论文
