Intermolecular interactions in composites of organically-modified silica aerogels and polymers: A molecular simulation study
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Title
Intermolecular interactions in composites of organically-modified silica aerogels and polymers: A molecular simulation study
Authors
Keywords
Molecular dynamics simulations, Silica aerogels, Polydimethylsiloxane, Polyimides, DFT calculations
Journal
MICROPOROUS AND MESOPOROUS MATERIALS
Volume 314, Issue -, Pages 110838
Publisher
Elsevier BV
Online
2020-12-30
DOI
10.1016/j.micromeso.2020.110838
References
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- (2018) P. Klonos et al. POLYMER
- The Matter Simulation (R)evolution
- (2018) Alán Aspuru-Guzik et al. ACS Central Science
- Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane
- (2018) Martin Stroet et al. Journal of Chemical Theory and Computation
- Transparent polyvinylsilsesquioxane aerogels: investigations on synthetic parameters and surface modification
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- Molecular Modeling and Simulation of Polymer Nanocomposites at Multiple Length Scales
- (2016) Ioannis G. Mathioudakis et al. IEEE TRANSACTIONS ON NANOTECHNOLOGY
- Organically modified silica aerogel with different functional silylating agents and effect on their physico-chemical properties
- (2016) Satish.A. Mahadik et al. JOURNAL OF NON-CRYSTALLINE SOLIDS
- Multiscale Materials Modeling in an Industrial Environment
- (2016) Horst Weiß et al. Annual Review of Chemical and Biomolecular Engineering
- Recent advances in molecular simulation: A chemical engineering perspective
- (2015) Jeremy C. Palmer et al. AICHE JOURNAL
- Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States
- (2015) Elizabeth Brunk et al. CHEMICAL REVIEWS
- Mechanically robust aerogels derived from an amine-bridged silsesquioxane precursor
- (2015) Zhen Wang et al. JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
- Highly flexible silica aerogels derived from methyltriethoxysilane and polydimethylsiloxane
- (2015) Liang Zhong et al. NEW JOURNAL OF CHEMISTRY
- Interactions of poly(dimethylsiloxane) with nanosilica and silica gel upon cooling–heating
- (2014) V.M. Gun’ko et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies
- (2014) Katarzyna B. Koziara et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Synthesis of polyimide cross-linked silica aerogels with good acoustic performance
- (2014) Peng Yan et al. RSC Advances
- Monolithic Composites of Silica Aerogels by Reactive Supercritical Deposition of Hydroxy-Terminated Poly(Dimethylsiloxane)
- (2013) D. Sanli et al. ACS Applied Materials & Interfaces
- An overview on silica aerogels synthesis and different mechanical reinforcing strategies
- (2013) Hajar Maleki et al. JOURNAL OF NON-CRYSTALLINE SOLIDS
- Molecular Dynamics Study of Interface Structure in Composites Comprising Surface-Modified SiO2Nanoparticles and a Polyimide Matrix
- (2013) P. V. Komarov et al. MACROMOLECULAR THEORY AND SIMULATIONS
- Amino functionalised Silica-Aerogels for CO2-adsorption at low partial pressure
- (2012) K. Wörmeyer et al. ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
- Aerogel-based thermal superinsulation: an overview
- (2012) Matthias Koebel et al. JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
- Tailoring Mechanical Properties of Aerogels for Aerospace Applications
- (2011) Jason P. Randall et al. ACS Applied Materials & Interfaces
- An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0
- (2011) Alpeshkumar K. Malde et al. Journal of Chemical Theory and Computation
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- Silica Aerogel: Synthesis and Applications
- (2010) Jyoti L. Gurav et al. Journal of Nanomaterials
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- Multiscale molecular modeling in nanostructured material design and process system engineering
- (2009) Maurizio Fermeglia et al. COMPUTERS & CHEMICAL ENGINEERING
- Investigation of Thermal Expansion of Polyimide/SiO2Nanocomposites by Molecular Dynamics Simulations
- (2009) Pavel V. Komarov et al. MACROMOLECULAR THEORY AND SIMULATIONS
- Synthesis and characterization by FTIR spectroscopy of silica aerogels prepared using several Si(OR)4 and R′′Si(OR′)3 precursors
- (2008) Rami Al-Oweini et al. JOURNAL OF MOLECULAR STRUCTURE
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