Multiscale modeling and simulation of polymer nanocomposites
Polymer nanocomposites offer a wide range of promising applications because of their
much enhanced properties arising from the reinforcement of nanoparticles. However, further …
much enhanced properties arising from the reinforcement of nanoparticles. However, further …
Recent development of membranes for carbon capture: From materials to asymmetric membranes
Membrane technology has emerged as a promising approach for various CO 2 capture
applications, including but not limited to hydrogen purification, natural gas processing …
applications, including but not limited to hydrogen purification, natural gas processing …
Topology-controlled thermomechanical properties of diamond nanothread enhanced polymeric materials
Among carbon-based nanoadditive for polymeric materials, diamond nanothread (DNT) has
attracted considerable interest due to its exceptional mechanical properties. However, the …
attracted considerable interest due to its exceptional mechanical properties. However, the …
Molecular dynamics simulation on cohesion and adhesion properties of the emulsified cold recycled mixtures
To explore the interface behavior between emulsified asphalt and aggregate/reclaimed
asphalt pavement (RAP), molecular dynamic simulation is carried out in this paper …
asphalt pavement (RAP), molecular dynamic simulation is carried out in this paper …
Study of the glass transition temperature and the mechanical properties of PET/modified silica nanocomposite by molecular dynamics simulation
Y Wang, W Wang, Z Zhang, L Xu, P Li - European Polymer Journal, 2016 - Elsevier
In this study, the glass transition behavior and mechanical properties of poly (ethylene
terephthalate)(PET), PET/silica nanocomposite and PET/hydroxylated silica nanocomposite …
terephthalate)(PET), PET/silica nanocomposite and PET/hydroxylated silica nanocomposite …
Effects of antioxidant functionalized silica on reinforcement and anti-aging for solution-polymerized styrene butadiene rubber: Experimental and molecular simulation …
K Luo, W Zheng, X Zhao, X Wang, S Wu - Materials & Design, 2018 - Elsevier
A new type of antioxidant functionalized silica (SiO 2-g-MC) was prepared by grafting
antioxidant N-(4-aniline phenyl) maleic imide (MC) onto the surface of silica via γ …
antioxidant N-(4-aniline phenyl) maleic imide (MC) onto the surface of silica via γ …
Molecular simulation study of penetrant gas transport properties into the pure and nanosized silica particles filled polysulfone membranes
K Golzar, S Amjad-Iranagh, M Amani… - Journal of membrane …, 2014 - Elsevier
The simulation techniques have been utilized to investigate the structural, physical and
separation properties of penetrant gases including oxygen, nitrogen, carbon dioxide and …
separation properties of penetrant gases including oxygen, nitrogen, carbon dioxide and …
A molecular simulation study on amine-functionalized silica/polysulfone mixed matrix membrane for mixed gas separation
Polysulfone (PSF) based mixed matrix membranes (MMMs) are one of the most broadly
studied polymeric materials used for CO 2/CH 4 separation. The performance of existing …
studied polymeric materials used for CO 2/CH 4 separation. The performance of existing …
Effect of filler on thermodynamic and mechanical behaviour of asphalt mastic: A MD simulation study
To fully understand the filler reinforcement mechanism in asphalt mastic, molecular dynamic
(MD) simulation was adopted to explore the effect of mineral filler on the structural …
(MD) simulation was adopted to explore the effect of mineral filler on the structural …
Molecular dynamics simulations of stability and fluidity of porous liquids
L Sheng, Z Chen, Y Wang - Applied Surface Science, 2021 - Elsevier
Due to the limitation of experimental methods at the atomic level, research on the stability
and fluidity of porous liquid was quite rare. Porous liquids composed of hollow SiO 2 …
and fluidity of porous liquid was quite rare. Porous liquids composed of hollow SiO 2 …