Molecular modelling of ionic liquids in the ordered mesoporous carbon CMK-5
نویسندگان
چکیده
منابع مشابه
Supercapacitive Performance of Ordered Mesoporous Carbon (CMK-3) in Neutral Aqueous Electrolyte
Ordered Mesoporous Carbon (OMC) represents an interesting material for electric double layer capacitors which has the high surface area, easily accessed ordered pore channels and lower production cost. In this work, CMK-3 as promising OMC has been fabricated using the ordered mesoporous silica SBA-15 as a template. The structure and morphology of CMK-3 are characterized by X-ray diffraction...
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Highly ordered mesoporous silica can be regenerated from a mesoporous carbon CMK-3 that is a negative replica of mesoporous silica SBA-15, indicating reversible replication between carbon and inorganic materials.
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Novel α-alumina crystalline nanosheets are used for the preparation of alumina-carbon composites, in which the latter component is phenolic resin-based ordered mesoporous carbon. A unique feature of these composites is perpendicular orientation of ordered mesopores of the carbon to the (001) facets of nonporous α-alumina nanosheets accompanied by significant enlargement of these mesopores in co...
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In this work, the PC-SAFT equation of state (EoS) has been used to model the solubility of acid gases (CO2 and H2S) in two imidazolium-based ionic liquids (ILs) ([C8-mim][PF6] and [C8-mim][Tf2N]). Parameters of pure ILs were estimated using experimental densities. Two strategies were considered to model densities of pure ILs. In strategy 1, ILs were modeled as nonassociating compounds and in st...
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The structural and molecular mechanism of double-stranded DNA (dsDNA) and single-stranded DNA (ssDNA) solvation in ten room-temperature ionic liquids (RTILs) is disclosed herein. We show that the Drew Dickerson B DNA structure solvated in neat RTILs based on imidazolium, oxazolium, pyrrolidinium, pyrimidinium and quaternary ammonium cations, combined with hexafluorophosphate and tetrafluorobrom...
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ژورنال
عنوان ژورنال: Molecular Simulation
سال: 2015
ISSN: 0892-7022,1029-0435
DOI: 10.1080/08927022.2015.1089992