Catalytic Upgrading of Biomass-Derived Sugars with Acidic Nanoporous Materials: Structural Role in Carbon-Chain Length Variation.
Sign Up to like & getrecommendations! Published in 2019 at "ChemSusChem"
DOI: 10.1002/cssc.201802113
Abstract: Shifting from petroleum-based resources to inedible biomass for the production of valuable chemicals and fuels is one of the significant aspects in sustainable chemistry for realizing the sustainable development of our society. Various renowned biobased… read more here.
Keywords: carbon; biomass; nanoporous materials; catalytic upgrading ... See more keywords
On the strength of nanoporous materials with the account of surface effects
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Engineering Science"
DOI: 10.1016/j.ijengsci.2020.103451
Abstract: Abstract The increasing applications of nanoporous materials in engineering structures call for robust strength criteria that are able to model the size effects of multiscale voids inherent to these materials. Many literature works have devoted… read more here.
Keywords: level; surface effects; strength; nanoporous materials ... See more keywords
Nanoporous materials with a general isotropic plastic matrix: Exact limit state under isotropic loadings
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Plasticity"
DOI: 10.1016/j.ijplas.2016.10.007
Abstract: Abstract In this paper, hydrostatic strength properties of nanoporous materials are investigated by addressing the limit state of a hollow sphere undergoing isotropic loading conditions. Void-size effects are modelled by treating the cavity boundary as… read more here.
Keywords: general isotropic; limit state; isotropic; nanoporous materials ... See more keywords
Homogenization and localization of elastic-plastic nanoporous materials with Gurtin-Murdoch interfaces: An assessment of computational approaches
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Plasticity"
DOI: 10.1016/j.ijplas.2019.08.004
Abstract: Abstract This paper critically examines the predictive capabilities of three computational approaches for the elastic-plastic response of nanoporous materials with energetic surfaces simulated with the Gurtin-Murdoch coherent interface model. These approaches involve the classical composite… read more here.
Keywords: plastic; volume; nanoporous materials; homogenization ... See more keywords
Transferable and Extensible Machine Learning-Derived Atomic Charges for Modeling Hybrid Nanoporous Materials
Sign Up to like & getrecommendations! Published in 2020 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.0c02468
Abstract: Nanoporous materials have attracted significant interest as an emerging platform for adsorption-related applications. The high-throughput computational screening became a standard technique to acce... read more here.
Keywords: machine learning; materials transferable; nanoporous materials; extensible machine ... See more keywords
A Generic Machine Learning Algorithm for the Prediction of Gas Adsorption in Nanoporous Materials
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.9b10766
Abstract: In the present study, we propose a new set of descriptors, appropriate for Machine Learning (ML) methods, aiming to predict accurately the gas adsorption capacities of nanoporous materials. The pre... read more here.
Keywords: machine learning; gas adsorption; nanoporous materials;
Non-Negligible Roles of Pore Size Distribution on Electroosmotic Flow in Nanoporous Materials.
Sign Up to like & getrecommendations! Published in 2019 at "ACS nano"
DOI: 10.1021/acsnano.9b03303
Abstract: Electroosmotic flow in nanoporous materials is of fundamental importance for the design and development of filtration membranes and electrochemical devices such as supercapacitors and batteries. Recent experiments suggest that ion transport in a porous network… read more here.
Keywords: size distribution; nanoporous materials; pore size; size ... See more keywords
CF4 Capture and Separation of CF4–SF6 and CF4–N2 Fluid Mixtures Using Selected Carbon Nanoporous Materials and Metal–Organic Frameworks: A Computational Study
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c06167
Abstract: The adsorption of pure fluid carbon tetrafluoride and the separation of CF4–SF6 and CF4–N2 fluid mixtures using representative nanoporous materials have been investigated by employing Monte Carlo and molecular dynamics simulation techniques. The selected materials… read more here.
Keywords: cf4; carbon; nanoporous materials; sf6 ... See more keywords
Recent advances in the textural characterization of hierarchically structured nanoporous materials.
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Society reviews"
DOI: 10.1039/c6cs00391e
Abstract: This review focuses on important aspects of applying physisorption for the pore structural characterization of hierarchical materials such as mesoporous zeolites. During the last decades major advances in understanding the adsorption and phase behavior of… read more here.
Keywords: hierarchically structured; nanoporous materials; physisorption; recent advances ... See more keywords
The role of charge-matching in nanoporous materials formation
Sign Up to like & getrecommendations! Published in 2019 at "Materials Horizons"
DOI: 10.1039/c8mh01640b
Abstract: Multi-scale modelling and experiments show that self-assembly of amine-templated silica occurs through charge-matching and not through the accepted neutral-templating mechanism. read more here.
Keywords: role charge; nanoporous materials; charge matching; matching nanoporous ... See more keywords
Variation of counter quaternary ammonium cations of anionic cage germanoxanes as building blocks of nanoporous materials.
Sign Up to like & getrecommendations! Published in 2021 at "Dalton transactions"
DOI: 10.1039/d1dt01122g
Abstract: Double-four ring (D4R)-type cage germanoxanes, having a fluoride anion in the cage, contain organic ammonium cations as counter cations outside the cage, and they are attractive as unique nano-building blocks of anionic porous materials. Although… read more here.
Keywords: building blocks; cage germanoxanes; nanoporous materials; cage ... See more keywords