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1,294 results for “reactions”
Experimentally constrained MACS of the 59Fe(n,g)60Fe reaction
<p>Maxwellian Averaged Cross Section (MACS) for the reaction 59Fe(n,g)60Fe. The upper and lower limits were extracted from the experimental investigation of this reaction using the beta-Oslo method (publication in progress A. Spyrou et al, Nature Com. 2024). In addition, the average of the upper and lower limits is given as a recommended rate. </p>
Experimentally constrained Reaction Rate of the 59Fe(n,g)60Fe reaction
<p>Reaction rate for the reaction 59Fe(n,g)60Fe. The upper and lower limits were extracted from the experimental investigation of this reaction using the beta-Oslo method (publication in progress A. Spyrou et al, Nature Com. 2024). In addition, the average of the upper and lower limits is given as a recommended rate. </p>
Datasets and Code: Revealing the Role of Redox Reaction Selectivity and Mass Transfer in Current–Voltage Predictions for Ensembles of Photocatalysts
<ul> <li>Raw datasets (.mat and .fig files) and codes (.mlx and .m files) used in our manuscript of the same title. </li> <li>Figure numbers correspond with the figure numbers in the corresponding manuscript. <ul> <li>Figure 4: Effects of kinetic parameters on Solar-to-chemical (STC) efficiencies and reaction selectivity</li> <li>Figure 5: Solar-to-chemical (STC) efficiencies for a model incorporating competing undesired redox reactions implemented for different redox shuttle pairs</li> <li>Figure 7: Solar-to-chemical efficiencies for an ensemble of light absorbers</li> <li>Figure 8: Maximum solar-to-chemical (STC) efficiencies and corresponding number of light absorbers as a function of asymmetry factors in limiting current density for redox shuttle reduction</li> <li>Figure 9: Solar-to-chemical efficiencies for an increasing number of light absorbers for different total absorptance values (99%, 75%, 50%).</li> <li>Figure 10: Qualitative comparisons between experimental measurements and model predictions for a photocatalytic suspension reactor</li> </ul> </li> <li>The main piece of the code developed is provided as an interactive .mlx file; not all subfunction calls within the main code is included, and can be shared upon reasonable request via email from the lead (luisab@umich.edu) and the corresponding authors (rbchan@umich.edu) of this paper. </li> </ul> <p> </p>
Dataset for the numerical simulation in the article "Catalytically biased self-assembly by hybridization of reversibility and irreversibility in a reaction network"
<p>This dataset includes the essential source code and the corresponding numerical data for the self-assembly of a M6L4 square-based pyramid (SP) complex. </p> <p>The associated study is described in </p> <p><strong>"Catalytically biased self-assembly by hybridization of reversibility and irreversibility in a reaction network"</strong>, by T. Abe, S. Takahashi, H. Sato, and S. Hiraoka.</p>
Dataset for ""A dynamic isotope effect in the nucleophilic substitution reaction F- + CD3I"
<p>Dataset for ""A dynamic isotope effect in the nucleophilic substitution reaction F- + CD3I"</p>
DATASET for Biomethanol production via electrolysis, oxy-fuel combustion, water-gas shift reaction, and LNG cold energy recovery
<p>DATASET for the paper entitled: Biomethanol production via electrolysis, oxy-fuel combustion, water-gas shift reaction, and LNG cold energy recovery</p>
Supplementary Material: Investigating Interaction Dynamics of an Enantioselective Peptide Catalyzed Acylation Reaction
<p>Supplementary material to the publication "Investigating Interaction Dynamics of an Enantioselective Peptide Catalyzed Acylation Reaction".</p> <p>The files contain the raw nuclear magnetic resonance (NMR) spectra and computed structures.</p> <p>A README-file with detailed information is provided.</p>
ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation
<p><span>ReaxFF simulations, QM calculation input/output files, and Jupyter notebooks for data analysis and visualization.</span></p>
Supporting Information for Automated and Efficient Sampling of Chemical Reaction Space
<p>These datasets include structures from normal mode sampling, reaction pathway sampling, and transition states for validation (originally from Grambow et al.), all computed using the ωB97X/6-31G(d) method. The corresponding energies and forces are compiled in the Atomic Simulation Environment database format. </p>
Observing and controlling electrocyclic ring-opening reaction of cyclohexadiene at conical intersection
<div> <div> <div> <p>The photoinduced cyclohexadiene/hexatriene ring-opening reaction has been modeled via explicit wave-packet propagation (Quantum dynamics-QD) on a two-dimensional (2D) ab-initio Hamiltonian (H) parametrized with multiconfigurational perturbative wavefunction theory (XMS-CASPT2). Electronic coherences and omptimal control pulses to enhance the ring-opening quantum yield have been modeled. </p> </div> </div> </div>
raw data for the article "Direct Photoexcitation of EthynylBenziodoXolones: An Alternative to Photocatalysis for Alkynylation Reactions"
<p>Raw NMR, MS and IR data for the article "Direct Photoexcitation of EthynylBenziodoXolones: An Alternative to Photocatalysis for Alkynylation Reactions" published in Angewandte Chemie, International Edition, DOI: </p> <p>https://onlinelibrary.wiley.com/doi/10.1002/anie.202110257R1</p> <p>The number of the folders correspond to compounds numbers in the article. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
Clustering of Catalytic Nanocompartments for Enhancing an Extracellular Non-Native Cascade Reaction
<p>Data underlying the figures in the publication “Clustering of Catalytic Nanocompartments for Enhancing an Extracellular Non-Native Cascade Reaction”, published in <em>Chemical Science</em> <strong>2021</strong>.</p> <p>Table of contents:</p> <p><strong>1. Figure 2</strong>; Zip. archive containing the experimental data of the graphs in <em>Figure 2</em>.</p> <p><strong>2. Figure 3</strong>; Zip. archive containing the experimental data of the graphs in <em>Figure 3</em>.</p> <p><strong>3. Figure 4</strong>; Zip. archive containing the experimental data of the graphs in <em>Figure 4</em>.</p> <p><strong>4. Figure 5</strong>; Zip. archive containing the experimental data of the graphs in <em>Figure 5</em>.</p> <p><strong>5. Figure 7</strong>; Zip. archive containing the experimental data of the graphs in <em>Figure 7</em>.</p>
Structures of reaction intermediates of the NAAG hydrolysis by glutamate carboxypeptidase II
<p>Representative frames from the molecular dynamics simulations in the regions of minima along the reaction path calculated at the QM(PBE0-D3/6-31G**)/MM(AMBER) level.</p>
Dataset associated to paper: Nanoscaffold effects on the performance of air-cathodes for microbial fuel cells: Sustainable Fe/N-carbon electrocatalysts for the oxygen reduction reaction under neutral pH conditions
<p>This file contains the dataset associated to the published research article "Nanoscaffold effects on air-cathode performance in microbial fuel cells: Fe/N-carbon electrocatalysts for the oxygen reduction reaction under neutral pH conditions". The dataset contains X-ray powder diffraction, Inductively Coupled Plasma Emission Spectroscopy, elemental analysis, measurements of the specific surface area, transmission electron microscopies, x-ray photoelectron microscopy, electrochemistry and microbial fuel cells power outputs data from their relative instruments. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreements No. 799175 (HiBriCarbon) and No. 748968 (EDGE-FREEMAB). The results of this publication reflect only the authors' view and the Commission is not responsible for any use that may be made of the information it contains. This publication has also emanated from research conducted with the financial support of Science Foundation Ireland under Grant No. 13/CDA/2213 and 19/FFP/6761. SI kindly acknowledges support by the Department of Social Justice State Government of Maharashtra, India. </p>
Genome alignments for 'Machine-driven parameter-space exploration of biochemical reactions'
<p>The development of complex, multi-step <em>omics</em> methods in molecular biology is a laborious, costly, iterative and often intuition-bound process where an optimum is sought in a parameter space through step-by-step optimisations. The the difficulty of miniaturising assays and the cost of the experiments limit the dynamic range and the number of parameters that can be explored. However, because of non-linearities of the response of biochemical systems to their reagent concentrations, a broad dynamic range is necessary. Here we demonstrate the use of a high-performance nanoliter handling platform (Labcyte Echo 525) and computer generation of liquid transfer programs to explore in quadruplicates more than 600 combination of 4 parameters of a biochemical reaction, which lead us to uncover non-linear responses, parameter interactions and novel mechanical insights. With the increased availability of « <em>cloud biology</em> » computer-driven laboratory platforms, our results participate in changing methods development for biotechnology towards reproducible, computer-aided exhaustive characterisation of biochemical systems.</p> <p>This dataset contains the sequence alignments and other processing files produced by running the raw data (10.5281/zenodo.1680999) through a processing pipeline using the MOIRAI workflow manager. The most important output is the "CAGEscan_fragments" directories and represent the alignment of single mRNA molecules, which can be further analysed using the "CAGEr" software package available from Bioconductor.</p> <p>Run IDs: 171227_M00528_0321_000000000-B4GLP, 180123_M00528_0325_000000000-B4PCK, 180326_M00528_0346_000000000-B4GJR, 180403_M00528_0348_000000000-B4GP8, 180411_M00528_0351_000000000-BN3BL, 180501_M00528_0359_000000000-B4PJY, 180517_M00528_0364_000000000-BRGK6 180606_M00528_0367_000000000-BN3FG, 180607_M00528_0368_000000000-BN9KM</p>
Catalytic reaction processes using microchannel technology for hydrogen production by steam reforming
<p><strong>Catalytic reaction processes using microchannel technology for hydrogen production by steam reforming</strong></p> <p>Junjie Chen</p> <p>Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com</p> <p> </p> <p>Two competing proposals have been made concerning the mechanism of catalytic reactions at surfaces, and it has not been possible to choose between them. Originally, Irving Langmuir, an American physical chemist, proposed chemisorption of both reacting species at the surface, followed by interaction between adjacent species and evaporation of the products. An alternative proposal involves interaction between an impinging molecule and species already adsorbed on the surface. Subsequent developments have suggested various modes of attachment of the adsorbed and adsorbing species. A major advance in the science of surface catalysis was the development of a method for determining the surface area of catalysts (and other materials) by measuring the multimolecular adsorption of nitrogen at liquid nitrogen temperatures or the adsorption of other gases close to their boiling points. It then became possible to calculate a quantity that represents the volume of gas necessary to form a monolayer on the accessible surface; furthermore, the area of the surface can be determined from the known dimensions of the adsorbed molecules. It has also been found possible to titrate (measure quantitatively) the area of surfaces by chemisorption of gases. Since heterogeneously catalyzed reactions occur on the surface of the catalyst, the rates of such reactions are proportional to the accessible surface area of the catalyst. Active catalysts are thus usually highly porous solids with total surface areas as high as several hundred square metres per gram. When measurements of surface areas became possible, it was seen at once that many constituents present in minor quantities in the main catalyst material, known as promoters, could act by extending the effective surface area of the catalyst. It also was shown, however, that a promoter might produce an increase in the quality of the surface for the given reaction. Acting in a reverse direction are minor constituents of the reacting system or unwanted products of the reaction, which by preferential adsorption on the reaction sites. Poisoning of a catalyst may also result from the poison adversely modifying the electronic properties of the catalyst.</p> <p>Streamwise distance (meter), Heterogeneous reaction rate along the length of the reactor (mole per square meter per second)</p> <p>0 12.5259</p> <p>0.00025 12.5249</p> <p>0.0005 12.4628</p> <p>0.00075 12.2996</p> <p>0.001 12.0712</p> <p>0.00125 11.8221</p> <p>0.0015 11.596</p> <p>0.00175 11.4118</p> <p>0.002 11.2616</p> <p>0.00225 11.1177</p> <p>0.0025 10.9536</p> <p>0.00275 10.759</p> <p>0.003 10.5398</p> <p>0.00325 10.3175</p> <p>0.0035 10.1169</p> <p>0.00375 9.94876</p> <p>0.004 9.80787</p> <p>0.00425 9.67857</p> <p>0.0045 9.54646</p> <p>0.00475 9.40536</p> <p>0.005 9.25748</p> <p>0.00525 9.11421</p> <p>0.0055 8.98858</p> <p>0.00575 8.88572</p> <p>0.006 8.80178</p> <p>0.00625 8.72615</p> <p>0.0065 8.64819</p> <p>0.00675 8.5635</p> <p>0.007 8.47426</p> <p>0.00725 8.38872</p> <p>0.0075 8.31553</p> <p>0.00775 8.2578</p> <p>0.008 8.21239</p> <p>0.00825 8.17077</p> <p>0.0085 8.1251</p> <p>0.00875 8.07247</p> <p>0.009 8.01529</p> <p>0.00925 7.9603</p> <p>0.0095 7.91452</p> <p>0.00975 7.88049</p> <p>0.01 7.85474</p> <p>0.01025 7.83035</p> <p>0.0105 7.80092</p> <p>0.01075 7.76453</p> <p>0.011 7.72333</p> <p>0.01125 7.68313</p> <p>0.0115 7.65017</p> <p>0.01175 7.62633</p> <p>0.012 7.60882</p> <p>0.01225 7.59146</p> <p>0.0125 7.5688</p> <p>0.01275 7.53904</p> <p>0.013 7.50421</p> <p>0.01325 7.4698</p> <p>0.0135 7.4414</p> <p>0.01375 7.42087</p> <p>0.014 7.40548</p> <p>0.01425 7.38911</p> <p>0.0145 7.36723</p> <p>0.01475 7.33882</p> <p>0.015 7.30582</p> <p>0.01525 7.27313</p> <p>0.0155 7.24519</p> <p>0.01575 7.22352</p> <p>0.016 7.20619</p> <p>0.01625 7.18805</p> <p>0.0165 7.16393</p> <p>0.01675 7.13321</p> <p>0.017 7.09884</p> <p>0.01725 7.06502</p> <p>0.0175 7.03546</p> <p>0.01775 7.01145</p> <p>0.018 6.99108</p> <p>0.01825 6.96922</p> <p>0.0185 6.94195</p> <p>0.01875 6.90861</p> <p>0.019 6.8712</p> <p>0.01925 6.83338</p> <p>0.0195 6.79882</p> <p>0.01975 6.76887</p> <p>0.02 6.74161</p> <p>0.02025 6.71249</p> <p>0.0205 6.67791</p> <p>0.02075 6.63756</p> <p>0.021 6.59338</p> <p>0.02125 6.54862</p> <p>0.0215 6.50642</p> <p>0.02175 6.46809</p> <p>0.022 6.43121</p> <p>0.02225 6.39171</p> <p>0.0225 6.34695</p> <p>0.02275 6.29666</p> <p>0.023 6.24214</p> <p>0.02325 6.18634</p> <p>0.0235 6.13241</p> <p>0.02375 6.0807</p> <p>0.024 6.02879</p> <p>0.02425 5.9737</p> <p>0.0245 5.9136</p> <p>0.02475 5.84831</p> <p>0.025 5.779</p> <p>0.02525 5.70789</p> <p>0.0255 5.63732</p> <p>0.02575 5.56765</p> <p>0.026 5.49729</p> <p>0.02625 5.42368</p> <p>0.0265 5.34518</p> <p>0.02675 5.26167</p> <p>0.027 5.17445</p> <p>0.02725 5.08554</p> <p>0.0275 4.99626</p> <p>0.02775 4.90677</p> <p>0.028 4.81571</p> <p>0.02825 4.7225</p> <p>0.0285 4.62433</p> <p>0.02875 4.52329</p> <p>0.029 4.40952</p> <p>0.02925 4.30083</p> <p>0.0295 4.20122</p> <p>0.02975 4.10465</p> <p>0.03 4.05785</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p>
Steam reforming processes using microchannel technology for conducting simultaneous endothermic and exothermic reactions
<p><strong>Steam reforming processes using microchannel technology for conducting simultaneous endothermic and exothermic reactions</strong></p> <p>Junjie Chen</p> <p>Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com</p> <p> </p> <p>Many catalytic processes are known in which the catalyst and the reactants are not present in the same phase, that is, state of matter. These are known as heterogeneous catalytic reactions. They include reactions between gases or liquids or both at the surface of a solid catalyst. Since the surface is the place at which the reaction occurs, it generally is prepared in ways that produce large surface areas per unit of catalyst; finely divided metals, metal gauzes, metals incorporated into supporting matrices, and metallic films have all been used in modern heterogeneous catalysis. The metals themselves are used, or they are converted to oxides, sulfides, or halides. With solid catalysts, at least one of the reactants is chemisorbed (a portmanteau term for chemically adsorbed) by the catalyst. A catalyst is chosen that releases the products formed as readily as possible; otherwise, the products remain on the catalyst surface and act as poisons to the process. Chemisorption can occur over a wide temperature range, the most effective temperature for adsorption depending on the nature of the catalyst. Thus, hydrogen is chemisorbed readily by many metals even at liquid air temperatures. With a series of hydrogenation-dehydrogenation catalysts, for example, zinc oxide-chromic oxide, chemisorption of hydrogen often occurs above room temperature. Nitrogen is rapidly chemisorbed on synthetic ammonia-iron catalyst in the region at temperatures above 400 degrees Celsius. It has been shown that iron films chemisorb nitrogen even at liquid air temperatures, with additional chemisorption found above room temperatures. It follows from such considerations that whereas physical adsorptions, which parallel the ease of liquefaction of the adsorbed substance, occur spontaneously, chemisorption, which involves the making and breaking of chemical bonds, often requires activation energies (energy needed to initiate reactions) as do uncatalyzed chemical processes. To be efficient catalytically, a process must involve energies of activation for all the steps involved that, at their maxima, are less than those required for the uncatalyzed reaction.</p> <p>Streamwise distance (meter), Heterogeneous reaction rate along the length of the reactor (mole per square meter per second)</p> <p>0 9.08258</p> <p>0.00025 9.08623</p> <p>0.0005 9.06858</p> <p>0.00075 9.00579</p> <p>0.001 8.90897</p> <p>0.00125 8.80223</p> <p>0.0015 8.71498</p> <p>0.00175 8.6596</p> <p>0.002 8.62783</p> <p>0.00225 8.59661</p> <p>0.0025 8.54384</p> <p>0.00275 8.46052</p> <p>0.003 8.35118</p> <p>0.00325 8.23399</p> <p>0.0035 8.13034</p> <p>0.00375 8.05024</p> <p>0.004 7.98947</p> <p>0.00425 7.93422</p> <p>0.0045 7.87164</p> <p>0.00475 7.7959</p> <p>0.005 7.70981</p> <p>0.00525 7.62462</p> <p>0.0055 7.55304</p> <p>0.00575 7.50071</p> <p>0.006 7.46372</p> <p>0.00625 7.43144</p> <p>0.0065 7.39358</p> <p>0.00675 7.3462</p> <p>0.007 7.29176</p> <p>0.00725 7.23878</p> <p>0.0075 7.19691</p> <p>0.00775 7.16958</p> <p>0.008 7.15358</p> <p>0.00825 7.14021</p> <p>0.0085 7.12094</p> <p>0.00875 7.09265</p> <p>0.009 7.05774</p> <p>0.00925 7.02353</p> <p>0.0095 6.99801</p> <p>0.00975 6.98414</p> <p>0.01 6.97862</p> <p>0.01025 6.97401</p> <p>0.0105 6.9631</p> <p>0.01075 6.94354</p> <p>0.011 6.91761</p> <p>0.01125 6.89195</p> <p>0.0115 6.87358</p> <p>0.01175 6.86521</p> <p>0.012 6.86398</p> <p>0.01225 6.86277</p> <p>0.0125 6.8552</p> <p>0.01275 6.83935</p> <p>0.013 6.81755</p> <p>0.01325 6.79575</p> <p>0.0135 6.78029</p> <p>0.01375 6.77368</p> <p>0.014 6.77343</p> <p>0.01425 6.7728</p> <p>0.0145 6.76616</p> <p>0.01475 6.75146</p> <p>0.015 6.73076</p> <p>0.01525 6.70987</p> <p>0.0155 6.6946</p> <p>0.01575 6.68733</p> <p>0.016 6.68571</p> <p>0.01625 6.68358</p> <p>0.0165 6.67524</p> <p>0.01675 6.65921</p> <p>0.017 6.6378</p> <p>0.01725 6.61618</p> <p>0.0175 6.59945</p> <p>0.01775 6.59003</p> <p>0.018 6.5862</p> <p>0.01825 6.58161</p> <p>0.0185 6.5713</p> <p>0.01875 6.5542</p> <p>0.019 6.53214</p> <p>0.01925 6.50972</p> <p>0.0195 6.49195</p> <p>0.01975 6.48078</p> <p>0.02 6.47405</p> <p>0.02025 6.46635</p> <p>0.0205 6.45304</p> <p>0.02075 6.43348</p> <p>0.021 6.40959</p> <p>0.02125 6.38518</p> <p>0.0215 6.36493</p> <p>0.02175 6.35104</p> <p>0.022 6.34095</p> <p>0.02225 6.32964</p> <p>0.0225 6.31313</p> <p>0.02275 6.29039</p> <p>0.023 6.26259</p> <p>0.02325 6.23382</p> <p>0.0235 6.20867</p> <p>0.02375 6.18867</p> <p>0.024 6.17146</p> <p>0.02425 6.15243</p> <p>0.0245 6.12822</p> <p>0.02475 6.09766</p> <p>0.025 6.06206</p> <p>0.02525 6.02536</p> <p>0.0255 5.99144</p> <p>0.02575 5.9613</p> <p>0.026 5.93233</p> <p>0.02625 5.90042</p> <p>0.0265 5.86267</p> <p>0.02675 5.81762</p> <p>0.027 5.76647</p> <p>0.02725 5.71297</p> <p>0.0275 5.66002</p> <p>0.02775 5.60812</p> <p>0.028 5.55564</p> <p>0.02825 5.4997</p> <p>0.0285 5.43621</p> <p>0.02875 5.37507</p> <p>0.029 5.31206</p> <p>0.02925 5.25157</p> <p>0.0295 5.19092</p> <p>0.02975 5.13077</p> <p>0.03 5.07692</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p>
Thermally coupled monolith reactors with enhanced heat transfer for conducting simultaneous endothermic and exothermic reactions
<p><strong>Thermally coupled monolith reactors with enhanced heat transfer for conducting simultaneous endothermic and exothermic reactions</strong></p> <p>Junjie Chen</p> <p>Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com</p> <p> </p> <p>A reactor must be of sufficient length to allow a reaction to proceed to the required conversion. Utilizing high gas velocities typically results in reactors with large length to width ratios which again results in systems with high pressure drops. The smaller the characteristic dimension of the catalyst particle the higher is the utilization of the catalyst. This is sometimes expressed as a higher effectiveness factor. However, beds formed from small particles exhibit higher pressure drops than similar beds formed from larger particle. So, an engineer designs a system with expectable compromises between heat transfer, catalyst utilization, system conversion, and pressure drop. Therefore, a reactor for conducting catalytic processes which can promote overall heat transfer and levels of conversion whilst minimizing pressure drop is desired. Another deficiency of traditional heat transfer equipment is start-up time and thermal response to transients. As reactors are traditionally large and heavy, they have significant thermal inertia. Therefore, the system takes significant time to re-equilibrate from any change in load or process operating conditions. Therefore, a reactor with enhanced response characteristics particularly for rapid start up is desired. A number of methods have been directed to methods of increased heat transfer within reactors and towards low pressure drop catalytic reactors and processes.</p> <p>Streamwise distance (meters), Heat flux (watts per square meter)</p> <p>0 24445.8</p> <p>0.00025 134016</p> <p>0.0005 131072</p> <p>0.00075 151168</p> <p>0.001 85641.3</p> <p>0.00125 -1444</p> <p>0.0015 -1860.19</p> <p>0.00175 -1518.44</p> <p>0.002 54696.4</p> <p>0.00225 97408</p> <p>0.0025 82176</p> <p>0.00275 94848</p> <p>0.003 54951.4</p> <p>0.00325 272.062</p> <p>0.0035 190.062</p> <p>0.00375 172.75</p> <p>0.004 30551.3</p> <p>0.00425 55808</p> <p>0.0045 50432</p> <p>0.00475 60160</p> <p>0.005 35216.3</p> <p>0.00525 267.563</p> <p>0.0055 230.062</p> <p>0.00575 199.562</p> <p>0.006 21724.7</p> <p>0.00625 39680</p> <p>0.0065 35840</p> <p>0.00675 42112</p> <p>0.007 24419.8</p> <p>0.00725 184.875</p> <p>0.0075 157.375</p> <p>0.00775 138</p> <p>0.008 18497.7</p> <p>0.00825 33024</p> <p>0.0085 28672</p> <p>0.00875 32384</p> <p>0.009 18375</p> <p>0.00925 128.25</p> <p>0.0095 103.25</p> <p>0.00975 90.5625</p> <p>0.01 16940.7</p> <p>0.01025 29440</p> <p>0.0105 24448</p> <p>0.01075 26496</p> <p>0.011 14644.3</p> <p>0.01125 91.5</p> <p>0.0115 68.8125</p> <p>0.01175 61.3125</p> <p>0.012 16031.7</p> <p>0.01225 27392</p> <p>0.0125 22016</p> <p>0.01275 23040</p> <p>0.013 12456.8</p> <p>0.01325 69.125</p> <p>0.0135 47.6875</p> <p>0.01375 42.5</p> <p>0.014 15255.2</p> <p>0.01425 25856</p> <p>0.0145 20096</p> <p>0.01475 20224</p> <p>0.015 10784.7</p> <p>0.01525 53.8125</p> <p>0.0155 33.375</p> <p>0.01575 30.25</p> <p>0.016 14481.9</p> <p>0.01625 24192</p> <p>0.0165 18304</p> <p>0.01675 17792</p> <p>0.017 9241.95</p> <p>0.01725 40.7501</p> <p>0.0175 21.3125</p> <p>0.01775 19.5625</p> <p>0.018 13581</p> <p>0.01825 22528</p> <p>0.0185 16768</p> <p>0.01875 15872</p> <p>0.019 8084.96</p> <p>0.01925 31.375</p> <p>0.0195 12.5</p> <p>0.01975 11.3125</p> <p>0.02 12809.2</p> <p>0.02025 20992</p> <p>0.0205 15104</p> <p>0.02075 13824</p> <p>0.021 6927.91</p> <p>0.02125 21.8125</p> <p>0.0215 4.18748</p> <p>0.02175 3.87499</p> <p>0.022 11653.6</p> <p>0.02225 18816</p> <p>0.0225 13312</p> <p>0.02275 12032</p> <p>0.023 5900.31</p> <p>0.02325 15.5625</p> <p>0.0235 -0.375003</p> <p>0.02375 -0.250023</p> <p>0.024 10115.4</p> <p>0.02425 16384</p> <p>0.0245 11520</p> <p>0.02475 10496</p> <p>0.025 5258.69</p> <p>0.02525 13.5625</p> <p>0.0255 0.125008</p> <p>0.02575 -2.83833E-05</p> <p>0.026 8578.74</p> <p>0.02625 13824</p> <p>0.0265 9856</p> <p>0.02675 9216</p> <p>0.027 4618.92</p> <p>0.02725 15.75</p> <p>0.0275 5.68751</p> <p>0.02775 5.625</p> <p>0.028 6404.77</p> <p>0.02825 10624</p> <p>0.0285 8320</p> <p>0.02875 8832</p> <p>0.029 4751.49</p> <p>0.02925 26.8125</p> <p>0.0295 20.3125</p> <p>0.02975 16.3125</p> <p>0.03 2.63005</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p>
Chemical reactors with enhanced heat transfer for conducting simultaneous endothermic and exothermic reactions
<p><strong>Chemical reactors with enhanced heat transfer for conducting simultaneous endothermic and exothermic reactions</strong></p> <p>Junjie Chen</p> <p>Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com</p> <p> </p> <p>Many chemical processes utilize catalysts to enhance chemical conversion behavior. A catalyst promotes the rate of chemical conversion but does not affect the energy transformations which occur during the reaction. Often catalytic processes are conducted within tubes which are packed with a suitable catalytic substance. The process gas flows within the tube and contacts the catalytic packing where reaction proceeds. The tube is placed within a hot environment such as a furnace such that the energy for the process can be supplied through the tube wall via conduction. The mechanism for heat transfer with this arrangement is rather tortuous as heat must first be transferred through the outer boundary layer of the tube, conducted through the often-heavy gauge wall of the tube and then pass through the inner boundary layer into the process gas. The process gas is raised in temperature and this energy can be utilized by the process for chemical reaction. The process engineer is often caused to compromise between the pressure drop within the tube reactor with the overall heat transfer and catalytic effectiveness. The inner heat transfer coefficient can be effectively increased by raising the superficial velocity of the process gas. The higher gas velocity therefore improves the thermal effectiveness of the system. However, higher gas velocities increase the system's pressure drop and results in increased compressor sizes and associated operating costs.</p> <p>Streamwise distance (meters), Heat flux (watts per square meter)</p> <p>0 27306.2</p> <p>0.00025 124496</p> <p>0.0005 117728</p> <p>0.00075 106208</p> <p>0.001 94912</p> <p>0.00125 85088</p> <p>0.0015 76704</p> <p>0.00175 69488</p> <p>0.002 63200</p> <p>0.00225 57712</p> <p>0.0025 52832</p> <p>0.00275 48528</p> <p>0.003 44704</p> <p>0.00325 41264</p> <p>0.0035 38144</p> <p>0.00375 35344</p> <p>0.004 32912</p> <p>0.00425 30720</p> <p>0.0045 28688</p> <p>0.00475 26832</p> <p>0.005 25184</p> <p>0.00525 23664</p> <p>0.0055 22272</p> <p>0.00575 21056</p> <p>0.006 19952</p> <p>0.00625 18912</p> <p>0.0065 17936</p> <p>0.00675 17072</p> <p>0.007 16288</p> <p>0.00725 15568</p> <p>0.0075 14864</p> <p>0.00775 14240</p> <p>0.008 13728</p> <p>0.00825 13216</p> <p>0.0085 12752</p> <p>0.00875 12304</p> <p>0.009 11840</p> <p>0.00925 11472</p> <p>0.0095 11168</p> <p>0.00975 10832</p> <p>0.01 10448</p> <p>0.01025 10128</p> <p>0.0105 9952</p> <p>0.01075 9776</p> <p>0.011 9472</p> <p>0.01125 9232</p> <p>0.0115 9136</p> <p>0.01175 8832</p> <p>0.012 8640</p> <p>0.01225 8688</p> <p>0.0125 8576</p> <p>0.01275 8432</p> <p>0.013 8320</p> <p>0.01325 8192</p> <p>0.0135 8016</p> <p>0.01375 7904</p> <p>0.014 7840</p> <p>0.01425 7728</p> <p>0.0145 7648</p> <p>0.01475 7552</p> <p>0.015 7488</p> <p>0.01525 7440</p> <p>0.0155 7360</p> <p>0.01575 7312</p> <p>0.016 7248</p> <p>0.01625 7184</p> <p>0.0165 7104</p> <p>0.01675 7024</p> <p>0.017 6992</p> <p>0.01725 7008</p> <p>0.0175 7008</p> <p>0.01775 6928</p> <p>0.018 6880</p> <p>0.01825 6880</p> <p>0.0185 6800</p> <p>0.01875 6720</p> <p>0.019 6720</p> <p>0.01925 6704</p> <p>0.0195 6640</p> <p>0.01975 6592</p> <p>0.02 6624</p> <p>0.02025 6592</p> <p>0.0205 6496</p> <p>0.02075 6464</p> <p>0.021 6512</p> <p>0.02125 6528</p> <p>0.0215 6448</p> <p>0.02175 6384</p> <p>0.022 6384</p> <p>0.02225 6320</p> <p>0.0225 6272</p> <p>0.02275 6288</p> <p>0.023 6272</p> <p>0.02325 6240</p> <p>0.0235 6192</p> <p>0.02375 6224</p> <p>0.024 6224</p> <p>0.02425 6160</p> <p>0.0245 6112</p> <p>0.02475 6112</p> <p>0.025 6080</p> <p>0.02525 5984</p> <p>0.0255 5968</p> <p>0.02575 6016</p> <p>0.026 6016</p> <p>0.02625 5936</p> <p>0.0265 5888</p> <p>0.02675 5904</p> <p>0.027 5888</p> <p>0.02725 5824</p> <p>0.0275 5776</p> <p>0.02775 5760</p> <p>0.028 5696</p> <p>0.02825 5568</p> <p>0.0285 5552</p> <p>0.02875 5584</p> <p>0.029 5472</p> <p>0.02925 5344</p> <p>0.0295 5280</p> <p>0.02975 5280</p> <p>0.03 5280</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p>
Combined heat exchanger reactors for conducting simultaneous endothermic and exothermic reactions
<p><strong>Combined heat exchanger reactors for conducting simultaneous endothermic and exothermic reactions</strong></p> <p>Junjie Chen</p> <p>Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com</p> <p> </p> <p>It has been described a process to generate a hydrogen rich gas by generating a catalytic film which is composed of layers of different catalysts. It is proposed that steam reforming of a hydrocarbon be performed by one layer and the energy for this process be supplied by a hydrocarbon oxidative process being promoted in the subsequent layer. Various hybrids of this theme are proposed. However, as the heat is supplied by an autothermal reaction, oxygen must be supplied along with the fuel stream. As well as the oxygen, associated nitrogen is present. This nitrogen acts to absorb process energy which lowers the thermal efficiency of the process as well as diluting the desired product, hydrogen. The presence of the nitrogen increases the load on downstream partial oxidation units which act to oxidize carbon monoxide to carbon dioxide. The nitrogen also reduces the streams suitability for use in fuel cells. Therefore, a reactor which can supply sufficient energy to an endothermic reaction without mixing the streams is needed. It has been described a method where parallel and discrete channels can be formed by stacking suitable plates to form a structure. The plates are then bonded together using brazing, welding or diffusion bonding techniques. It is also claimed that cast ceramic plates can be used with a suitable sealing mechanism. Catalyst can be adhered onto the wall and energy supplied or removed via conduction between subsequent channels. However, the design does not allow for catalyst replenishment nor precious metal recovery. Therefore, a reactor which affords an easy and cheap method for catalyst replacement and replenishment is required.</p> <p>Streamwise distance (meters), Heat flux (watts per square meter)</p> <p>0 28543.2</p> <p>0.00025 147840</p> <p>0.0005 130560</p> <p>0.00075 136832</p> <p>0.001 76061.5</p> <p>0.00125 4012.44</p> <p>0.0015 6787.19</p> <p>0.00175 9091.13</p> <p>0.002 70670.9</p> <p>0.00225 107776</p> <p>0.0025 78720</p> <p>0.00275 75904</p> <p>0.003 39811.2</p> <p>0.00325 1654.75</p> <p>0.0035 2917.25</p> <p>0.00375 4164.75</p> <p>0.004 50131</p> <p>0.00425 77568</p> <p>0.0045 55552</p> <p>0.00475 53248</p> <p>0.005 27844.7</p> <p>0.00525 1018.19</p> <p>0.0055 1766.44</p> <p>0.00575 2553.25</p> <p>0.006 36808.2</p> <p>0.00625 58240</p> <p>0.0065 43264</p> <p>0.00675 43136</p> <p>0.007 23029</p> <p>0.00725 728.5</p> <p>0.0075 1212.56</p> <p>0.00775 1734.25</p> <p>0.008 27885.2</p> <p>0.00825 45056</p> <p>0.0085 34944</p> <p>0.00875 37120</p> <p>0.009 20554</p> <p>0.00925 566.687</p> <p>0.0095 893.187</p> <p>0.00975 1261.12</p> <p>0.01 22236.7</p> <p>0.01025 36992</p> <p>0.0105 30464</p> <p>0.01075 33920</p> <p>0.011 19118</p> <p>0.01125 463.125</p> <p>0.0115 683.938</p> <p>0.01175 966.625</p> <p>0.012 18747.8</p> <p>0.01225 31872</p> <p>0.0125 27136</p> <p>0.01275 31232</p> <p>0.013 17946</p> <p>0.01325 392.437</p> <p>0.0135 547.312</p> <p>0.01375 772.062</p> <p>0.014 16463.2</p> <p>0.01425 28544</p> <p>0.0145 25088</p> <p>0.01475 29568</p> <p>0.015 17164.1</p> <p>0.01525 343.563</p> <p>0.0155 452.563</p> <p>0.01575 637.126</p> <p>0.016 14980</p> <p>0.01625 26240</p> <p>0.0165 23296</p> <p>0.01675 27776</p> <p>0.017 16257.6</p> <p>0.01725 307.437</p> <p>0.0175 385.437</p> <p>0.01775 541.563</p> <p>0.018 13518</p> <p>0.01825 24064</p> <p>0.0185 21888</p> <p>0.01875 26240</p> <p>0.019 15353.1</p> <p>0.01925 280.813</p> <p>0.0195 340.375</p> <p>0.01975 476.688</p> <p>0.02 12456</p> <p>0.02025 22144</p> <p>0.0205 20352</p> <p>0.02075 24832</p> <p>0.021 14579.9</p> <p>0.02125 263.812</p> <p>0.0215 312.5</p> <p>0.02175 433.625</p> <p>0.022 11277.1</p> <p>0.02225 20480</p> <p>0.0225 19072</p> <p>0.02275 23296</p> <p>0.023 13807.9</p> <p>0.02325 251.563</p> <p>0.0235 294.875</p> <p>0.02375 404.437</p> <p>0.024 10105.3</p> <p>0.02425 18432</p> <p>0.0245 17152</p> <p>0.02475 20864</p> <p>0.025 12394.4</p> <p>0.02525 236.813</p> <p>0.0255 276.937</p> <p>0.02575 375.75</p> <p>0.026 8677.24</p> <p>0.02625 15744</p> <p>0.0265 14592</p> <p>0.02675 17792</p> <p>0.027 10592.6</p> <p>0.02725 213.125</p> <p>0.0275 249.625</p> <p>0.02775 335.938</p> <p>0.028 7370.84</p> <p>0.02825 13184</p> <p>0.0285 11648</p> <p>0.02875 13312</p> <p>0.029 7754.35</p> <p>0.02925 167.812</p> <p>0.0295 212.062</p> <p>0.02975 190.063</p> <p>0.03 25.6936</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p>
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OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.