@article { ISI:000232046200030, title = {Benzoylation of polyphenylene oxide: characterization and gas permeability investigations}, journal = {European Polymer Journal}, volume = {41}, number = {10}, year = {2005}, month = {OCT}, pages = {2461-2471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Benzoylation of polyphenylene oxide (PPO) was carried out with aromatic acid chlorides bearing specific groups at para-position (H methyl, Br, Cl and nitro), which differ in their polarity and bulk. The reaction conditions were optimized individually to get the high degree of substitution. These materials were characterized for thermal as well as other physical properties that are known to affect the gas permeation. In a series investigated, the nitrobenzoyl substitution on PPO resulted in the highest increase in glass transition temperature and the lowest thermal stability. An estimation of the packing density parameters-fractional free volume by density measurement and the d-spacing by X-ray diffraction analysis showed an increase in the packing density. The gas permeability was found to decrease in all the cases of benzoylation. The helium and oxygen based selectivities were increased, while CO2 based selectivities were decreased. The unusual trend observed in the gas permeation properties is explained on the basis of nature of substituent and the degree of substitution. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {benzoylation, Gas permeability, polyphenylene oxide, selectivity}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2005.03.026}, author = {Bhole, Yogesh S. and Kharul, Ulhas K. and Somani, S. P. and Kumbharkar, S. C.} } @article { ISI:000226929600009, title = {Vapour phase oxidation of acetophenone to benzoic acid over binary oxides of V and Mo}, journal = {Chemical Engineering Research and Design}, volume = {83}, number = {A1}, year = {2005}, month = {JAN}, pages = {75-80}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Test data for catalytic oxidation of acetophenone into benzoic acid performed at bench scale with V2O5-MoO3 catalyst in a continuous downflow metal reactor are presented. The process parameters such as temperature and flow rate influence the product distribution. The P2O5, B2O3 and Na2O when used as dopant on V2O5-MoO3 catalyst showed marked influence on activity and selectivity. An acidic catalyst like V2O5-MoO3-P2O5 favours formation of benzoic acid while a basic catalyst like V2O5-MoO3-Na2O favours formation of benzaldehyde. The addition of Na2O into V2O5-MoO3 binary oxides formed new phases (NaVMoO6 and Na2V2Mo3O15), which increased Arrhenius activation energy from 18.24 to 31.35 kcal mol(-1).

}, keywords = {acetophenone, activity, benzoic acid, carbon oxides, oxidation of acetophenone, selectivity}, issn = {0263-8762}, doi = {10.1205/cherd.03206}, author = {Chumbhale, Vilas R. and Paradhy, S. A. and Anilkumar, Mettu and Kadam, S. T. and Bokade, Vijay V.} } @article { ISI:000251722700028, title = {Assessing feasibility of polyarylate-clay nanocomposites towards improvement of gas selectivity}, journal = {Journal of Membrane Science}, volume = {306}, number = {1-2}, year = {2007}, month = {DEC}, pages = {277-286}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymer-clay nanocomposites are well known to reduce the penetrant permeability by following tortuous path. Effects of such reduction in gas permeability on variation in selectivity of nanocomposites prepared using a high permeability polymer were examined. The polyarylate: poly (tetramethyl bisphenolA-iso/terephthalate) that exhibits high permeability and moderate selectivity was chosen for making nanocomposites with two organically modified clays (Cloisite 6A and 10A) by solution intercalation method. The nanocomposite formation for various clay loadings (3, 5 and 7\% w/w) in polyarylate was ascertained by change in physical properties (X-ray diffraction, DMA, TEM). Behavior of solution viscosity and nanocomposite density indicated existence of polymer-clay layer interactions. As anticipated, though the gas permeability of pure gases, viz., He, N-2, CH4 and CO2 exhibited decrease, it was not monotonous. This decrease was more for larger gases (N-2, CH4 and CO2) in comparison to the decrease for smaller gas (He) permeability. This led to a decrease in CO2/N-2 and CO2/CH4 selectivities and increase in He/CO2 selectivity; while He/CH4 selectivity was increased substantially at 7\% clay loading. This variation indicated feasibility of nanocomposites formation as a tool for improving selectivity of certain gas pairs. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Gas permeation, Nanocomposites, polyarylates, selectivity, solution intercalation}, issn = {0376-7388}, doi = {10.1016/j.memsci.2007.09.001}, author = {Bhole, Yogesh S. and Wanjale, Santosh D. and Kharul, Ulhas K. and Jog, Jyoti Prakash} } @article { ISI:000243163000032, title = {Eco-friendly synthesis of epichlorohydrin catalyzed by titanium silicate (TS-1) molecular sieve and hydrogen peroxide}, journal = {Catalysis Communications}, volume = {8}, number = {3}, year = {2007}, month = {MAR}, pages = {379-382}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In a mixed solvent system of acetonitrile and methanol, titanium silicate molecular sieve, TS-1, having MFI topology, efficiently catalyses the epoxidation of allyl chloride to the corresponding epichlorohydrin in excellent yields using dilute hydrogen peroxide (45\%) as an oxidizing agent. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {allyl chloride, epichlorohydrin, epoxidation, heterogeneous catalysis, selectivity, titanium silicalite-1}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.07.007}, author = {Pandey, Rajesh Kumar and Kumar, Rajiv} } @article { ISI:000251631200005, title = {Effect of substituent polarity, bulk, and substitution site toward enhancing gas permeation in dibromohexafluorobisphenol-A based polyarylates}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {45}, number = {23}, year = {2007}, month = {DEC}, pages = {3156-3168}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The gas permeation properties of polyarylates were tuned by varying nature and site of substituents present on both of its monomers, viz., bisphenol and dicarboxylic acid. The phenyl rings of hexafluorobisphenol-A were substituted in asymmetric manner by polar bromine to obtain dibromohexafluorobisphenol-A. This bisphenol was polymerized with equimolar mixture of iso- and terephthalic acid (base case), bromo- and nitroterephthalic acid (polar group substituted acids), 4,4{\textquoteright}-hexafluoroisopropylidene bis(benzoic acid), and t-butyl isophthalic acid (bulky group containing acids). Physical properties and gas permeation properties of these polyarylates were investigated to assess combined effects of asymmetric nature of bisphenol substitution, polar nature of substituent bromine, hexafluoroisopropylidene group present at the bridge position of bisphenol, and substituent present on the acid moiety. The combination of these substituent types led these polyarylates to lie near Robeson upper bound. The gas sorption analysis and estimation of diffusivity in these polyarylates shed a light on observed variations in gas permeation properties by attempted structural variations. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {asymmetric substitution, Diffusion, Gas permeation, gas sorption, polyarylates, selectivity, structure-property relations}, issn = {0887-6266}, doi = {10.1002/polb.21314}, author = {Ishole, Yogesh S. and Karadkar, Prasad R. and Kharul, Ulhas K.} } @article { ISI:000245903300012, title = {Fabrication of MEMS composite-polymer gas sensor arrays for electronic nose}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {45}, number = {4}, year = {2007}, note = {Indo-Chinese Workshop on Micro Electron Mechanical Systems (MEMS) and Related Technologies, Natl Phys Lab, New Delhi, INDIA, APR 05-07, 2006}, month = {APR}, pages = {321-325}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article, Proceeding Paper}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Sensor arrays capable of sensing different gases combined with a sampling system and a means of pattern classification and recognition comprise a basic system for an {\textquoteleft}Electronic Nose{\textquoteright} In the present work, a complete process for the fabrication of micro-cavities with sensing electrodes and volumes ranging from 2.5 to 12 nano-liters for the development of polymer gas sensors has been reported. An array of eight sensing cells in four sizes have been fabricated using SU-8 negative tone resist through UV-LIGA process developed at CEERI, Pilani. The length and width of the SU-8 cavities are: 250 x 250, 300 x 300, 500 x 500 and 500 x 600 micron and the depth of each of them was optimized to be 40 micron. These cavities filled with different polymer composites comprise the basic sensing cells for a variety of gases. The current paper presents the salient features of the fabrication process in detail and the results obtained in ethanol and methanol ambient using a polymer composite developed through dissolution of styrene and polyaniline in PMMA. A number of other composites such as Pc-Ppy, Pr-Ppy, Fc(+)-PPy have also been synthesized and tested for a high sensitivity in carbon monoxide.

}, keywords = {composite polymer, conducting polymer, electronic nose, polymer gas sensor, selectivity, sensitivity, sensor array}, issn = {0019-5596}, author = {Pant, B. D. and Kutnar, Mahesh and Lakshmi, Subha and Arora, Anil and Prasad, Mahanth and Sharma, Akshdeep and Patel, Mohan and Radhakrishnan, S. and Dwivedi, V. K.} } @article { ISI:000244765100003, title = {Studies on gas sensing performance of pure and modified barium strontium titanate thick film resistors}, journal = {Bulletin of Materials Science}, volume = {30}, number = {1}, year = {2007}, month = {FEB}, pages = {9-17}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Barium strontium titanate ((Ba0.87Sr0.13)TiO3-BST) ceramic powder was prepared by mechanochemical process. The thick films of different thicknesses of BST were prepared by screen-printing technique and gas-sensing performance of these films was tested for various gases. The films showed highest response and selectivity to ammonia gas. The effect of film thickness on gas response was also studied. As prepared BST thick films were surface modified by dipping them into an aqueous solution of titanium chloride (TiCl3) for different intervals of time. Surface modification shifted response to H2S gas suppressing the responses to ammonia and other gases. The surface modification, using dipping process, altered the adsorbate-adsorbent interactions, which gave the unusual sensitivity and selectivity effect. Sensitivity, selectivity, thermal stability, response and recovery time of the sensor were measured and presented.

}, keywords = {(Ba0.87Sr0.13)TiO3 thick films, ammonia gas sensor, II2S gas sensor, selectivity, sensitivity}, issn = {0250-4707}, doi = {10.1007/s12034-007-0003-z}, author = {Jain, G. H. and Patil, L. A. and Patil, P. P. and Mulik, Uttam P. and Patil, K. R.} } @article { ISI:000259651700007, title = {Hydrated clay for catalyst removal in copper mediated atom transfer radical polymerization(a)}, journal = {Macromolecular Rapid Communications}, volume = {29}, number = {18}, year = {2008}, month = {SEP}, pages = {1538-1543}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

A simple method has been described to remove catalyst from the copper mediated atom transfer radical polymerization (ATRP) of benzyl methacrylate and methyl methacrylate in anisole at 25 degrees C using hydrated natural clay (sodium montmorillonite, Na-clay). The method consists of (1) addition of hydrated clay (CU(I/)clay approximate to 5 wt.-\%) either during or after the polymerization, (2) oxidation of catalyst complex by exposing the terminated reaction mixture in air, and (3) filtration to obtain catalyst free polymer solution. A strong coordination of CuBr-ligand complex onto hydrated clay (10 wt.-\%

}, keywords = {Atom transfer radical polymerization (ATRP), Catalysts, clay, selectivity, synthesis}, issn = {1022-1336}, doi = {10.1002/marc.200800240}, author = {Munirasu, Selvaraj and Deshpande, Ashwini and Baskaran, Durairaj} } @article { ISI:000255339200058, title = {Synthesis, characterization, and gas permeability of aromatic polyimides containing pendant phenoxy group}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {6}, year = {2008}, month = {JUN}, pages = {3881-3889}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A diamine containing a pendant phenoxy group, 1-phenoxy-2,4-diaminobenzene, was synthesized and condensed with different aromatic dianhydrides [4,4{\textquoteright}-oxydiphthalic dianhydride, 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride, 3,3{\textquoteright},4,4-benzophenone tetracarboxylic dianhydride, 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracorboxylic dianhydride, and pyromellitic dianhydride] by one-step synthesis at a high temperature in m-cresol to obtain polyimides in high yields. Most of the polyimides exhibited good solvent solubility and could be readily dissolved in chloroform, sym-tetrachloroethane, N,N-dimethylformamide, NN-dimethylacetamide, and nitrobenzene. Their inherent viscosities were in the range of 0.33-1.16 dL/g. Wide-angle X-ray spectra revealed that these polymers were amorphous in nature. All these polyimides were thermally stable, having initial decomposition temperatures above 500 degrees C and glass-transition temperatures in the range of 248-281 degrees C. The gas permeability of 4,4{\textquoteright}-oxydiphthalic dianhydride and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride based polyimides was investigated with pure gases: He, H-2, O-2, Ar, N-2, CH4, and CO2. A polyimide containing a -C(CF3)(2)- linkage showed a good combination of permeability and selectivity. (C) 2008 Wiley Periodicals, Inc.

}, keywords = {Gas permeation, membranes, polyimides, selectivity, structure-property relations}, issn = {0021-8995}, doi = {10.1002/app.28074}, author = {Kothawade, Sandeep S. and Kulkarni, Mahesh P. and Kharul, Ulhas K. and Patil, Anandrao S. and Vernekar, Subhash P.} } @article { ISI:000276804800005, title = {Synthesis of (-)-galantinic acid via iterative hydrolytic kinetic resolution and tethered aminohydroxylation}, journal = {Tetrahedron}, volume = {66}, number = {17}, year = {2010}, month = {APR}, pages = {3159-3164}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new synthetic strategy for (-)-galantinic acid is reported using iterative hydrolytic kinetic resolution and tethered aminohydroxylation as the key steps. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-Aminoalcohol, 3-Diol, Iterative hydrolytic kinetic resolution, selectivity, Tethered aminohydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.02.093}, author = {Dubey, Abhishek and Kauloorkar, Shruti Vandana and Kumar, Pradeep} } @article { ISI:000325039100047, title = {Ultrasound promoted efficient and green protocol for the expeditious synthesis of 1, 4 disubstituted 1, 2, 3-triazoles using Cu(II) doped clay as catalyst}, journal = {Applied Clay Science}, volume = {80-81}, year = {2013}, month = {AUG}, pages = {351-357}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu(II) doped clay catalyst has been prepared by an easy technique from inexpensive starting materials and investigated for the one pot synthesis of 1, 4-disubstituted 1, 2, 3-triazoles via Huisgen [3 + 2] cycloaddition under ultrasonic irradiation at room temperature. The catalyst is highly active, selective, and stable and can be reused several times. The prepared catalyst has been characterized by XRD, BET-SA, H-2-TPR, SEM and XPS techniques. This transformation is fast, efficient and does not require nitrogen atmosphere or anoxic conditions and additive. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Catalyst support, Copper catalyst, Crystallization, selectivity, Sustainability}, issn = {0169-1317}, doi = {10.1016/j.clay.2013.06.030}, author = {Dar, Bashir Ahmad and Bhowmik, Amrita and Sharma, Amit and Sharma, Parduman R. and Lazar, Anish and Singh, A. P. and Sharma, Meena and Singh, Baldev} } @article { ISI:000364803200011, title = {Design and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1140-1144}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.

}, keywords = {Diamino triazine, dihydrofolate reductase, enzyme assay, molecular modeling, Mycobacterium tuberculosis, selectivity, synergy}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00367}, author = {Lele, Arundhati C. and Raju, Archana and Khambete, Mihir P. and Ray, M. K. and Rajan, M. G. R. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Degani, Mariam S.} } @article {46442, title = {Semirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity}, journal = {Glycobiology}, volume = {29}, year = {2019}, month = {NOV}, pages = {765-775}, type = {Article}, abstract = {

Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.

}, keywords = {flavonol, Glycosyltransferase, in silico analysis, Mutagenesis, selectivity}, issn = {0959-6658}, doi = {10.1093/glycob/cwz056}, author = {Joshi, Rakesh and Trinkl, Johanna and Haugeneder, Annika and Haertl, Katja and Franz-Oberdorf, Katrin and Giri, Ashok and Hoffmann, Thomas and Schwab, Wilfried} } @article {47578, title = {Active K-OMS-2 supported catalyst for hydrogenolysis of glycerol}, journal = {ChemistrySelect}, volume = {6}, year = {2021}, month = {SEP}, pages = {8700-8708}, type = {Article}, abstract = {Propanediols are very important chemical intermediates, which need to be prepared through commercially viable routes. Cryptomelane type octahedral molecular sieve-2 (K-OMS-2), a cheap and environmentally benign microporous oxide was employed to support Ru and used as a catalyst to get 1,2-propanediol (1,2-PDO) selectively through hydrogenolysis of glycerol. Three catalysts with different Ru content were prepared and evaluated for glycerol hydrogenolysis. Among these, 1 wt.\% Ru-K-OMS-2 showed reasonably good activity towards 1,2-PDO formation under moderate reaction conditions even at lower Ru loading (0.9 wt.\%). When other metals such as Cu and Ni were supported on K-OMS-2, their performance was inferior compared to Ru-supported catalysts. All the catalysts were characterized using various physicochemical techniques like XRD, N-2-sorption, TPD, H-2-TPR, TGA, ICP-OES, FE-SEM and TEM. The enhanced catalytic activity with the 1 wt.\%Ru-K-OMS-2 catalyst was attributed to the better Ru metal dispersion, higher active metal surface area, basic strength, and porosity of the support. The catalyst was found to be recyclable. Analysis of spent catalyst by TEM showed disintegration of Ru nanoparticles to smaller ones, under high H-2 pressure at the reaction temperature. Smaller Ru particles are expected to promote C-C bond cleavage thus suppressing 1,2-PDO formation. Furthermore, a relationship between the TOF value, Ru nanoparticles size, and the basic strength of the catalysts was established, which provides dipper insight into the different catalytic behavior of the catalysts.}, keywords = {Glycerol, Hydrogenolysis, octahedral molecular sieves, Propanediols, selectivity}, issn = {2365-6549}, doi = {10.1002/slct.202101664}, author = {Gogoi, Pranjal and Chilukuri, Satyanarayana and Thirumalaiswamy, Raja} } @article {47498, title = {Red fluorescent ultra-small gold nanoclusters functionalized with signal molecules to probe specificity in quorum sensing receptors in gram-negative bacteria}, journal = {Archives of Microbiology}, year = {2021}, month = {JUN}, type = {Article; Early Access}, abstract = {Ultra-small (size < 2 nm) gold nanoclusters (AuNCs) are used as fluorescent probes which have excellent applications in bioimaging and sensing due to their emission in visible and NIR spectral region. Here, this property is exploited for understanding the quorum sensing phenomenon in bacteria which is regulated by signal molecules which are specific to various species. AuNCs are then functionalized with the signal molecules, Acyl Homoserine Lactones (AHL) of varying carbon chain length, C-6, C-8, and C-12 without 3rd C modification, to sense different strains of gram-negative bacteria i.e., Escherichia coli, Cronobacter sakazakii and Pseudomonas aeruginosa. In the concentration employed, selectivity to a limited extent is observed between the three Gram-negative bacteria tested. E. coli showed emission with all the AHL conjugates and P. aeruginosa did not interact with any of the three conjugates, whereas C. sakazakii showed specificity to C-8AHL. This is probably due to selectivity for cognate AHL molecules of appropriate concentrations.}, keywords = {acyl homoserine lactone, fluorescence imaging, Gold nanoclusters, quorum sensing, Receptors, selectivity}, issn = {0302-8933}, doi = {10.1007/s00203-021-02338-y, Early Access Date = JUN 2021}, author = {Chahande, Anurag M. and Lathigara, Disha and Prabhune, Asmita A. and Devi, R. Nandini} } @article {48774, title = {Hydrogen from catalytic non-thermal plasma-assisted steam methane reforming reaction}, journal = {International Journal of Hydrogen Energy}, volume = {48}, year = {2023}, month = {JUL}, pages = {24328-24341}, type = {Article}, abstract = {

Steam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidatedSteam methane reforming reaction was carried out in a dielectric barrier plasma reactor. A systematic study is conducted to understand the influence of input power, flow rate, and water for the conversion, yield, and selectivity of the reaction over strategically designed catalysts. In particular, the production rate and selectivity of the products (H2, CO and C2 hydrocarbons) are monitored. CeO2 was used as packing material, mixed with oxides of manganese or copper and their combination. The optimum Cu/CeO2 catalyst illustrated the production rate of 248.7 mmolg-1h-1 and 11.25 mmolg-1h-1 for H2, and CO, respectively at specific energy input of 19.8 JL-1. DFT calculations exhibit apparent change in electronic structure of the CeO2 after inclusion of oxides of manganese and copper that enhance interaction with methane. Based on these findings, a plausible mechanism is elucidated which can help to design catalyst for other applications in non-thermal plasma atmosphere. \& COPY; 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {DFT, Dielectric barrier discharge, Non-thermal plasma, selectivity, Specific energy input, Steam methane reforming}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2023.03.281}, author = {Bajpai, Abhinav and Mehta, Shweta and Joshi, Kavita and Kumar, Sushant} }