Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

scientific article

Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling is …
instance of (P31):
scholarly articleQ13442814

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P819ADS bibcode2015NatCo...6.5912B
P356DOI10.1038/NCOMMS6912
P698PubMed publication ID25607776
P5875ResearchGate publication ID271334700

P50authorMichael W. DeemQ6835129
Michael TsapatsisQ44147328
P2093author name stringChris Knight
Limin Ren
Peng Bai
J Ilja Siepmann
Mi Young Jeon
P2860cites workAdsorption of water and ethanol in MFI-type zeolitesQ47792986
Understanding the unusual adsorption behavior in hierarchical zeolite nanosheets.Q53548855
Anhydrous ethanol: A renewable source of energyQ56446140
Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane IsomersQ59281591
In silico screening of carbon-capture materialsQ59286701
High-Throughput Screening of Porous Crystalline Materials for Hydrogen Storage Capacity near Room TemperatureQ60457626
Fischer-Tropsch Waxes UpgradingviaHydrocracking and Selective HydroisomerizationQ63927339
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materialsQ63927559
A database of new zeolite-like materialsQ83671049
Accelerating applications of metal-organic frameworks for gas adsorption and separation by computational screening of materialsQ84563056
Cost-effective CO2 capture based on in silico screening of zeolites and process optimizationQ85847184
Multicomponent adsorption of alcohols onto silicalite-1 from aqueous solution: isotherms, structural analysis, and assessment of ideal adsorbed solution theoryQ87421879
Comparison of simple potential functions for simulating liquid waterQ26778447
Probing the relationship between silicalite-1 defects and polyol adsorption propertiesQ30620758
Large-scale screening of hypothetical metal-organic frameworksQ34136626
Ethanol fermentation from biomass resources: current state and prospectsQ36332504
Trends in biotechnological production of fuel ethanol from different feedstocks.Q37044825
Synthesis of a specified, silica molecular sieve by using computationally predicted organic structure-directing agentsQ43796471
Predictive framework for shape-selective separations in three-dimensional zeolites and metal-organic frameworks.Q44565447
Optimizing nanoporous materials for gas storageQ44855781
Large-scale screening of zeolite structures for CO2 membrane separationsQ46070736
In silico design of porous polymer networks: high-throughput screening for methane storage materialsQ46108622
Separation of hexane isomers in a metal-organic framework with triangular channelsQ46138343
Large-scale computational screening of zeolites for ethane/ethene separationQ46205351
P407language of work or nameEnglishQ1860
P921main subjectzeoliteQ181332
P304page(s)5912
P577publication date2015-01-21
P1433published inNature CommunicationsQ573880
P1476titleDiscovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling
P478volume6

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cites work (P2860)
Q55267153Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach.
Q64079107Deep neural network learning of complex binary sorption equilibria from molecular simulation data
Q54974201Engineering of Transition Metal Catalysts Confined in Zeolites.
Q55535815Genetic engineering of inorganic functional modular materials.
Q48043288Identifying Optimal Zeolitic Sorbents for Sweetening of Highly Sour Natural Gas.
Q28597469In silico discovery of metal-organic frameworks for precombustion CO2 capture using a genetic algorithm
Q36340860In silico prediction and screening of modular crystal structures via a high-throughput genomic approach.
Q38815548Interplay between hydrophilicity and surface barriers on water transport in zeolite membranes
Q34548804Irreversible Conversion of a Water-Ethanol Solution into an Organized Two-Dimensional Network of Alternating Supramolecular Units in a Hydrophobic Zeolite under Pressure
Q57891385Irreversible Conversion of a Water-Ethanol Solution into an Organized Two-Dimensional Network of Alternating Supramolecular Units in a Hydrophobic Zeolite under Pressure
Q30845234Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage
Q38507113Porous materials. Function-led design of new porous materials.
Q52343572Supramolecular Organization in Confined Nanospaces.
Q38544083Zeolite membranes - a review and comparison with MOFs.

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