A molecular modeling study for miscibility of polyimide/polythene mixing systems with/without compatibilizer
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Song Chen
Abstract
Molecular models were established to predict the miscibility of polyimide/polythene mixing systems and the enhancing effects of compatibilizer addition of maleic anhydride grafted polythene (MAH-g-PE). Molecular dynamics simulations were applied to investigate radial distribution functions and Flory-Huggins parameters of the mixing systems. Results show that polyimide/polythene is miscible to a certain degree, and the miscibility gets better after adding MAH-g-PE. Dissipative particle dynamics (DPD) simulations display that micro-phase separation occurs in the polyimide/polythene mixing systems, however, effective interfaces appear between polyimide and polythene phases after adding MAH-g-PE. The results of molecular mechanics simulations indicate that the ability of mixing systems to resist stretch, compression and shear deformation increases after adding MAH-g-PE. This work offers a promising technique to predict miscibility properties for polyimide/polythene system prior to actual production and attempt to find a suitable compatibilizer for that system.
Acknowledgements
We would like to thank the National Natural Science Foundation of China under the Grant no. 51505341 for the financial support of this research, Funder Id: 10.13039/501100001809.
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©2018 Walter de Gruyter GmbH, Berlin/Boston
Articles in the same Issue
- Frontmatter
- Material properties
- Structure mediation and ductility enhancement of poly(l-lactide) by random copolymer poly(d-lactide-co-ε-caprolactone)
- Morphological characterization, thermal, and mechanical properties of compatibilized high density polyethylene/polystyrene/organobentonite ternary nanocomposites
- Preparation and assembly
- Simultaneous toughening and reinforcing of cyanate ester/benzoxazine resins with improved mechanical and thermal properties by using hyperbranched polyesters
- Surface modification of Sb-SnO2/potassium titanate composite and their performance for acrylic coatings
- Poly (vinyl alcohol)/nano-diamond composite films and hydrogels prepared by gamma ray
- Engineering and processing
- Study on structures and properties of ultra-hot drawing UHMWPE fibers fabricated via dry spinning method
- Separation of CO2/CH4 and O2/N2 by polysulfone hollow fiber membranes: effects of membrane support properties and surface coating materials
- Electric field-induced alignment of MWCNTs during the processing of PP/MWCNT composites: effects on electrical, dielectric, and rheological properties
- A molecular modeling study for miscibility of polyimide/polythene mixing systems with/without compatibilizer
- Analysis and quantitative estimation of phenolic antioxidants in polypropylene packaging for fat products
- Effects of ultrasonic injection molding conditions on the plate processing characteristics of PMMA
Articles in the same Issue
- Frontmatter
- Material properties
- Structure mediation and ductility enhancement of poly(l-lactide) by random copolymer poly(d-lactide-co-ε-caprolactone)
- Morphological characterization, thermal, and mechanical properties of compatibilized high density polyethylene/polystyrene/organobentonite ternary nanocomposites
- Preparation and assembly
- Simultaneous toughening and reinforcing of cyanate ester/benzoxazine resins with improved mechanical and thermal properties by using hyperbranched polyesters
- Surface modification of Sb-SnO2/potassium titanate composite and their performance for acrylic coatings
- Poly (vinyl alcohol)/nano-diamond composite films and hydrogels prepared by gamma ray
- Engineering and processing
- Study on structures and properties of ultra-hot drawing UHMWPE fibers fabricated via dry spinning method
- Separation of CO2/CH4 and O2/N2 by polysulfone hollow fiber membranes: effects of membrane support properties and surface coating materials
- Electric field-induced alignment of MWCNTs during the processing of PP/MWCNT composites: effects on electrical, dielectric, and rheological properties
- A molecular modeling study for miscibility of polyimide/polythene mixing systems with/without compatibilizer
- Analysis and quantitative estimation of phenolic antioxidants in polypropylene packaging for fat products
- Effects of ultrasonic injection molding conditions on the plate processing characteristics of PMMA
