Intermolecular interactions in composites of organically-modified silica aerogels and polymers: A molecular simulation study (English)
- New search for: Maximiano, Pedro
- Further information on Maximiano, Pedro:
- https://orcid.org/0000-0001-5656-2721
- New search for: Durães, Luísa
- New search for: Simões, Pedro
- Further information on Simões, Pedro:
- https://orcid.org/0000-0002-5068-950X
- New search for: Maximiano, Pedro
- Further information on Maximiano, Pedro:
- https://orcid.org/0000-0001-5656-2721
- New search for: Durães, Luísa
- New search for: Simões, Pedro
- Further information on Simões, Pedro:
- https://orcid.org/0000-0002-5068-950X
In:
Microporous and Mesoporous Materials
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314
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2020
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Intermolecular interactions in composites of organically-modified silica aerogels and polymers: A molecular simulation study
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Contributors:
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Published in:
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Publisher:
- New search for: Elsevier Inc.
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Publication date:2020-12-12
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:APTES , 3-aminopropyltriethoxysilane , B3LYP , Becke, three-parameter, Lee–Yang–Parr (functional) , BPDA , 3,3’,4,4’-biphenyltetracarboxylic dianydride , DBA , 3,5-diaminobenzoic acid , DFT , density functional theory , DMAc , dimethylacetamide , ESP , electrostatic surface potential , GLYMO , 3-glycidyloxypropiltrimethoxysilane , MD , molecular dynamics , NMP , N-methylpyrrolidone , ODA , 4,4’-oxydianiline , ORMOSIL , organically-modified silica , PDMS , hydroxyl terminated polydimethylsiloxane , PMDA , pyromellitic dianhydride , PME , particle mesh Ewald , RDF , radial distribution function , TEOS , tetraethylorthosilicate , TMOS , tetramethylorthosilicate , VTMS , vinyltrimethoxysilane , Molecular dynamics simulations , Silica aerogels , Polydimethylsiloxane , Polyimides , DFT calculations
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Source:
Table of contents – Volume 314
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Intermolecular interactions in composites of organically-modified silica aerogels and polymers: A molecular simulation studyMaximiano, Pedro / Durães, Luísa / Simões, Pedro et al. | 2020
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Experimental and DFT analysis of the acid and reduction properties of Fe-Cu/ZSM-5Denardin, Felipe Girondi / Muniz, André Rodrigues / Perez-Lopez, Oscar William et al. | 2020
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Chain-like Fe3O4@void@mSiO2@MnO2 composites with multiple porous shells toward highly effective microwave absorption applicationQiao, Mingtao / Li, Jiaxin / Wei, Dan / He, Xiaowei / Lei, Xingfeng / Wei, Jian / Zhang, Qiuyu et al. | 2020
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Rapid ultrasound-assisted synthesis of controllable Zn/Co-based zeolitic imidazolate framework nanoparticles for heterogeneous catalysisYao, Bingqing / Lua, Shun-Kuang / Lim, Hui-Shi / Zhang, Qi / Cui, Xiaoya / White, Timothy J. / Ting, Valeska P. / Dong, ZhiLi et al. | 2020
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Recent progress of mesoporous materials for high performance supercapacitorsFang, Yanyan / Zhang, Qianyu / Cui, Lifeng et al. | 2020
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Curcumin-loaded mesoporous silica nanoparticles with dual-imaging and temperature control inhibits the infection of Zika virusLo, Tzu-Hsuan / Wu, Zhi-Yuan / Chen, Shiow-Yi / Meng, Fan-Yi / Chou, Pi-Tai / Wang, Chih-Min / Lin, Hsiu-Mei et al. | 2021
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Effect of microwave assisted solvothermal process parameters on carbon dioxide adsorption properties of microporous carbon materialsStaciwa, P. / Sibera, D. / Pełech, I. / Narkiewicz, U. / Łojkowski, W. / Dąbrowska, S. / Cormia, R. et al. | 2020
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Mechanical properties improvement of bi-directional functionally graded laminated MWCNT reinforced composite beams using an integrated tailoring–optimization approachEl-Ashmawy, A.M. / Xu, Yuanming / El-Mahdy, Loai A. et al. | 2020
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Co/N-doped carbon nanosheets derived from InOF-1 precursors for efficient Zn-Air batteryHuang, Qi / Chai, Lulu / Wang, Xian / Wu, Yun-Long / Li, Qipeng / Hu, Yue / Qian, Jinjie et al. | 2020
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Salt-resistant solar still based on hollow sphere porous ionic polymers for desalinationWang, Fei / Lu, Nan / Wang, Shuo / Wei, Dongyuan / Su, Yanning / Sun, Hanxue / Zhu, Zhaoqi / Liang, Weidong / Li, An et al. | 2020
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Fiber engineering of silica-based aerogels with surface specificity and regenerability for continuous removal of dye pollutants from wastewatersMeng, Si / Yu, Senlong / Tang, Feiyu / Hu, Xiangning / Lu, Jian / Fei, Xiang / Zhu, Meifang et al. | 2020
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Editorial Board| 2021
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Insight into the formation of framework titanium species during acid treatment of MWW-type titanosilicate and the effect of framework titanium state on olefin epoxidationZhang, Jie / Jin, Shaoqing / Deng, Donghao / Liu, Wei / Tao, Guiju / Luo, Qiangqiang / Sun, Hongmin / Yang, Weimin et al. | 2020
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A concise and systematic study of the hydrothermal synthesis of Si-MCM-48: Structural aspects and mechanical stabilityMartins, Eduardo Girotte / Bessa, Bethânia Guimarães / Cesário da Silva, Sabrina / Gomes, Eliezer Ladeia / Condotta, Rodrigo et al. | 2020
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Eco-friendly prepared mesoporous carbon encapsulated SnO2 nanoparticles for high-reversible lithium-ion battery anodesRaza, Asif / Ghani, Faizan / Lim, JongChoo / Nah, In Wook / Kim, Hyung-Seok et al. | 2020
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Enhanced adsorption and separation of gallium using silica-based P507-TBP/SiO2–P adsorbent from sulfuric acid solutionMeng, Jiejie / He, Chunlin / Li, Yuanjian / Zhou, Jie / Li, Jie / Zheng, Chunhui / Zhao, Jian / Fujita, Toyohisa / Ning, Shunyan / Wei, Yuezhou et al. | 2020
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Co3O4@3D ordered macro-/mesoporous TiO2 as an excellent cathode catalyst for rechargeable Li–O2 batteriesSong, Yan / Li, Yunfeng / Peng, Yue / Zhang, Chengwei / Yin, Fuxing et al. | 2020
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Thermal activation of NH4 precursor of acidic omega zeolite: A neutron and in-situ synchrotron powder diffraction combined studyBeltrami, Giada / di Renzo, Francesco / Parodi, Ilaria / Alberti, Alberto / de Lourdes Guzman-Castillo, Maria / Fajula, Francois / Suard, Emmanuelle / Martucci, Annalisa et al. | 2020
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Study on thermodynamics, dynamics and reverse shape separation selectivity of mesoporous UiO-66 for nHEP/MCHLiu, Zongjian / Sun, Zhicong / Zhang, Zhao / Xu, Lifei / Zhang, Lin / Cui, Qun / Wang, Haiyan et al. | 2020
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Green synthesis of highly dispersed Ag nanoparticles on polydopamine-functionalized graphene oxide and their high catalytic reduction reactionÖzgür, Derya Öncel et al. | 2020
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Ultrafast synthesis of high-silica Beta zeolite from dealuminated MOR by interzeolite transformation for methanol to propylene reactionsWang, Bowen / Ren, Li / Zhang, Jingyan / Peng, Rusi / Jin, Shaoqing / Guan, Yejun / Xu, Hao / Wu, Peng et al. | 2021
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Z-scheme g-C3N4/C/S-g-C3N4 heterostructural nanotube with enhanced porous structure and visible light driven photocatalysisYang, Ying / Yang, Feng / Li, Zelin / Zhang, Na / Hao, Shijie et al. | 2021
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Synthesis of multiple Ag nanoparticles loaded hollow mesoporous carbon spheres for highly efficient and recyclable catalysisXu, Peng / Wu, Zhenguo / Dai, Wei / Wang, Yang / Zheng, Mengke / Su, Xiaodan / Teng, Zhaogang et al. | 2020
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Insight to sorption mechanism employing nanocomposite: Case study of toxic species removalRamkumar, Jayshree / Majeed, Jerina / Chandramouleeswaran, S. et al. | 2020
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Preparation of hierarchical SSZ-13 by NH4F etchingBabić, Viktoria / Koneti, Siddardha / Moldovan, Simona / Nesterenko, Nikolai / Gilson, Jean-Pierre / Valtchev, Valentin et al. | 2020
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Organotemplate-free synthesis of MOR zeolite from coal fly ash through simultaneously effective extraction of Si and AlZhou, Tongxiao / Wang, Bangda / Dai, Zhongde / Jiang, Xia / Wang, Yi et al. | 2020
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An assessment on kinetic modeling of esterification reaction from oleic acid and methyl acetate over USY zeoliteKetzer, Felipe / de Castilhos, Fernanda et al. | 2021
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One-pot synthesis of hollow single crystal SSZ-13 zeolite by creating aluminum gradients with excellent activity for NH3-SCRDeng, Shujun / Wang, Zhiheng / Deng, Di / Chen, Zhipeng / He, Dandan / He, Hong / Ji, Yi / Hou, Guangjin / Sun, Wenshou / Liu, Licheng et al. | 2020
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A novel aerogel with forced thermoelastic deformationKong, Wei / Jiang, Linlin / Jiang, Guodong / Zhang, Jun / Shen, Xiaodong et al. | 2020
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Synthesis of ZIF-8 with encapsulated hexachlorocyclotriphosphazene and its quenching mechanism for flame-retardant epoxy resinMeng, Weihua / Wu, Hongjuan / Bi, Xue / Huo, Zhiyong / Wu, Jianing / Jiao, Yunhong / Xu, Jianzhong / Wang, Mei / Qu, Hongqiang et al. | 2021