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19 results for “Reaction kinetics”
Raw data for "Interplay of Kinetic and Thermodynamic Reaction Control Explains Incorporation of Dimethylammonium Iodide into CsPbI3"
<p>Raw solid-state NMR and XRD data, and input files for DFT and MD calculations shown in https://doi.org/10.1021/acsenergylett.2c00877</p>
Kinetic Insights into Glycerol Electrooxidation on Nickel: Current-Dependent Product Distribution and Reaction Mechanism
<p>## FILE DESCRIPTION<br>--------------<br>### Figure 1<br>- Fig1a.txt : Cyclic voltammetry of a Ni-based electrode in 0.1 M LiOH and 50 mM glycerol, measured at 5 mV s^-1. <br>- Fig1b.txt : IS spectra obtained at 1.50 V vs RHE in 0.1 M LiOH and 0.1 M LiOH + 50 mM glycerol.<br>- Fig1c.txt : Chronopotentiometric curves at 1 mA cm^-2, 3 mA cm^-2, 5 mA cm^-2 during 2 hours in 0.1 M LiOH + 50 mM glycerol.</p> <p>### Figure 2<br>- Fig2a.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 1 mA cm^-2.<br>- Fig2b.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 3 mA cm^-2.<br>- Fig2c.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 5 mA cm^-2.<br>- Fig2d.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 10 mA cm^-2.<br>- Fig2e.txt : Concentration of reaction products vs. time plots during glycerol oxidation (50 mM) in 0.1 M LiOH at 1 mA cm^-2.<br>- Fig2f.txt : Concentration of reaction products vs. time plots during glycerol oxidation (50 mM) in 0.1 M LiOH at 3 mA cm^-2.<br>- Fig2g.txt : Concentration of reaction products vs. time plots during glycerol oxidation (50 mM) in 0.1 M LiOH at 5 mA cm^-2.<br>- Fig2h.txt : Concentration of reaction products vs. time plots during glycerol oxidation (50 mM) in 0.1 M LiOH at 10 mA cm^-2.</p> <p>### Figure 3<br>- Fig3a.txt : Rate constant comparison at varying current densities applied for the formation of formate, glycolate, glycerate, tartronate and oxalate with its error bar.</p> <p>### Figure 4<br>- Fig4a.txt : Differential optical density (m∆O.D) taken at the maximum absorption peak as a function of potential applied in a solution of 0.1 M LiOH and LiOH 0.1 M + 50 mM glycerol in different regions (capacitive, NiOOH formation and GEOR and OER).<br>- Fig4b.txt : Rate law plot for glycerol and LiOH considering current density as a function of the normalized differential absorption (m∆O.D).</p> <p>### Figure S3<br>- FigS3.txt : X-ray diffraction (XRD) analysis </p> <p><br>### Figure S4<br>- FigS4a.txt : Cyclic Voltammetries in different electrolytes.</p> <p>### Figure S5<br>- FigS5a.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 1.53 V vs RHE.<br>- FigS5b.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 1.62 V vs RHE.<br>- FigS5c.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 1.78 V vs RHE.</p> <p>### Figure S6<br>- FigS6a.txt : pH measurement near to the surface of the electrode and in the bulk of the solution every five minutes at 1 mA cm^-2.<br>- FigS6b.txt : pH measurement near to the surface of the electrode and in the bulk of the solution every five minutes at 3 mA cm^-2.<br>- FigS6c.txt : pH measurement near to the surface of the electrode and in the bulk of the solution every five minutes at 5 mA cm^-2.</p> <p>### Figure S7<br>- FigS7a.txt : UV-Vis absorbance spectra as a function of applied potentials in 0.1 M LiOH.<br>- FigS7b.txt : Chronoamperometry measurement without glycerol.<br>- FigS7c.txt : UV-Vis absorbance spectra as a function of applied potentials in 0.1 M LiOH + 50 mM glycerol.<br>- FigS8d.txt : Chronoamperometry measurement with glycerol.</p> <p>### Figure S8<br>- FigS8a.txt : Differential UV-Vis spectra of pre-catalytic (species formed in capacitive and NiOOH formation region) in 0.1 M LiOH.<br>- FigS8b.txt : Differential UV-Vis spectra of catalytic species (formed in OER and GEOR region) in 0.1 M LiOH.<br>- FigS8c.txt : Differential UV-Vis spectra of pre-catalytic species in 0.1 M LiOH + 50 mM glycerol. <br>- FigS8d.txt : Differential UV-Vis spectra of catalytic species in 0.1 M LiOH + 50 mM glycerol.<br>- FigS8e.txt : Steady state J-V curve with the onset for OER (Oxygen Evolution Reaction) and GEOR (Glycerol Electrooxidation Reaction) indicated.</p> <p>### Figure S9<br>- FigS9.txt : Rate law plot for glycerol and LiOH considering current density (j) as a function of the normalized differential absorption (m∆O.D).</p>
Data for Automatic Mechanism Generation Involving Kinetics of Surface Reactions with Bidentate Adsorbates
<p>Data and scripts for the preprint "Automatic Mechanism Generation Involving Kinetics of Surface Reactions with Bidentate Adsorbates".</p>
Development of predictive models of the kinetics of a hydrogen abstraction reaction combining quantum-mechanical calculations and experimental data
<p>The files contain the electronic structure calculations for all the levels of theory tested in this work.</p>
Kinetics of the redox reactions in STEAP1 and STEAP2
<p>The data repository includes the kinetic data of the redox reactions in STEAP1 and STEAP2, which are presented in "Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2" by Kehan Chen, Lie Wang, Jiemin Shen, Ah-lim Tsai, Ming Zhou and Gang Wu. The data include: 1) the reduction of ferric STEAP1 by reduced FADH2 and ferrous STEAP2; 2) the reduction of ferric STEAP1 by cytochrome b5 reductase; 3) the reduction of ferric STEAP2 with NADPH; and 4) the oxidation of ferrous STEAP1 and STEAP2 by ferric.NTA.</p>
Impact of synthesis routes of metal-oxide photoanodes on the oxygen evolution reaction kinetics
<p>Reducir las emisiones de CO2 es fundamental en la lucha contra el cambio climático y para ello, el uso y almacenamiento de energías renovables juega un papel importante. La fotosíntesis artificial, inspirados en la fotosíntesis natural, ha surgido como una de las soluciones más prometedoras para lograr este propósito. Tal y como lo hace una planta, esta tecnología apunta a almacenar energías alternativas, como la solar, eólica, geotérmica, etc., en forma de combustibles o enlaces químicos, como el hidrógeno verde, a través de la electrólisis de agua. Este proceso consiste en pasar una corriente eléctrica, proveniente de energías renovables, desde el cátodo hasta el ánodo a través del agua. Para que este proceso sea económicamente viable, es necesario que el cátodo, donde se produce el hidrógeno verde, y el ánodo, donde se produce oxígeno, estén fabricados de catalizadores económicos, abundantes y eficientes. Dentro de este grupo de catalizadores, aquellos basados en metales de transición tienen a ser los más estudiados por su abundancia y estabilidad. Sin embargo, las reacciones de evolución de hidrógeno y oxígeno presentan una cinética lenta, de manera que entender los mecanismos de reacción de dichos catalizadores es crucial para aumentar su eficiencia. En esta charla presentaré un resumen de las acciones que Colombia esta tomado frente al cambio climático, así como los avances más recientes en la producción de hidrógeno verde. Posteriormente, enfocaré la charla en los avances en investigación que he desarrollado en conjunto con mis colaboradores. En particular, explicaré los avances en el diseño e implementación de un sistema automatizado de ‘spray coating’ para producir materiales nanoestructurados de manera económica. Así mismo, explicaré con dos ejemplos los avances para producir nanomateriales y elucidar sus mecanismos de reacción para producir hidrógeno verde en un cátodo de Cu2S y oxígeno en un ánodo de α-Fe2O3.</p>
Liquid-liquid phase reaction between crystal violet and sodium hydroxide: kinetic study and precipitate analysis
<p>To investigate reaction order and kinetic parameters of the reaction between crystal violet (CV) and sodium hydroxide (NaOH), various concentrations of the reactants were applied. The present work also verifies the unknown solid product produced under highly concentrated conditions. The reaction orders of CV and NaOH were determined to be 1 and 1.17 by pseudo-rate method, respectively, with a rate constant, k, of 0.084 [(M-1.17) s-1]. In addition to pseudo-rate method, the half-life approach is use to calculated the overall reaction order to verify the accuracy of pseudo-rate method. The overall reaction order is determined to be 1.9 by half-life method. Compare reaction order gained from both methods, the overall reaction order is determined as ~2. The precipitate formation was observed when high concentrations of CV (0.01~0.1 M) and NaOH (1.0 M) were applied. Fourier transform infrared (FTIR) spectroscopy was used to compare the spectra of the precipitate generated and a commercial solvent violet 9 (SV9). Based on the FTIR spectra, it was confirmed that the molecular structure of the precipitate matched that of solvent violet 9.</p>
Supporting information for "Kinetics of CN(v=1) reactions with butadiene isomers at low temperature by cw-Cavity Ringdown in a pulsed Laval flow with theoretical modelling of rates and entrance channel branching
<p>This file contains the master equation inputs for all the reactions studied, as well as all the details on stationary points and VRC-TST fluxes necessary to reproduce the simulations. </p>
Kinetics of the redox reactions in STEAP1 and STEAP2
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Liquid-liquid phase reaction between crystal violet and sodium hydroxide: kinetic study and precipitate analysis
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Data from the paper: D. Malko and A. Kucernak, "Kinetic isotope effect in the oxygen reduction reaction (ORR) over Fe-N/C catalysts under acidic and alkaline conditions", Electrochemistry Communications,2017, https://doi.org/10.1016/j.elecom.2017.09.004
<p>Data used to generate the figures in the paper: D. Malko and A. Kucernak, "Kinetic isotope effect in the oxygen reduction reaction (ORR) over Fe-N/C catalysts under acidic and alkaline conditions", Electrochemistry Communications,2017, https://doi.org/10.1016/j.elecom.2017.09.004</p> <p> </p>
Supplementary Information for "Biased Borate Esterification during Nucleoside Phosphorylase-Catalyzed Reactions: Apparent Equilibrium Shifts and Kinetic Implications"
<p>This is the external Supplementary Information for our publication "Biased Borate Esterification during Nucleoside Phosphorylase-Catalyzed Reactions: Apparent Equilibrium Shifts and Kinetic Implications".</p> <p>The .zip files contains the raw data and metadata for all items (supplementary and main text) as well as the calculation results. This includes UV, HPLC, NMR, DFT and MD results. This revised version presents extended DFT results (now including dispersion contributions) as well as additional NMR data (now including analytical data for isolated 1f, among other data).</p> <p>To some extent, this work builds on and borrows from our previous publications on spectral unmixing (https://doi.org/10.3390/mps2030060, https://doi.org/10.1002/cbic.202000204), continuous reaction monitoring (https://doi.org/10.1021/acs.analchem.1c05356), and thermodynamic reaction control (https://doi.org/10.1002/adsc.201901230, https://doi.org/10.5281/zenodo.3568858, https://doi.org/10.1002/cphc.202000901, https://doi.org/10.1021/acscatal.1c02589).</p>
Consequences of adsorbate-adsorbate interactions for modelled reaction kinetics of surface catalytic reactions
<p>A repository that contains Zacros input files and python scripts for postprocessing simulation results. </p>
Experimental datasets from Newland et al. (2021, ACP, NO3 chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO3 radical)
<p>This folder contains raw FTIR output in .csv format for the furan+NO3 experiments in Newland et al. (2021). The dates (and so relevant VOCs) for each experiment can be found in Table S1.</p> <p>FTIR reference spectra for the furans are also provided. All spectra were recorded at ~ 3 ppmv.</p>
Experimental datasets from Newland et al. (2021, ACP, NO3 chemistry of wildfire emissions: a kinetic study of the gas-phase reactions of furans with the NO3 radical)
<p>This folder contains response - time profiles obtained using the ANIR program to interpret the raw FTIR output (available at 10.5281/zenodo.5721518) for the furan+NO3 experiments in Newland et al. (2021). The dates (and so relevant VOCs) for each experiment can be found in Table S1.</p> <p>The first column of each file is the response-time profile. The other three columns are residuals calculated by the ANIR program when fitting the reference spectra to the experiment spectra.</p>
Data for paper "Influence of hole transport and thermal reactions in photo-driven water oxidation kinetics on crystalline TiO2"
<p>The reaction schemes, parameters, and result data </p>
Effects of Calisthenics and Life Kinetics on Reaction Time, Balance, and Swimming in Male Swimmers
ClinicalTrials.gov study NCT07089563. IPD Sharing: NO. Countries: 1. Publications: 0.
Relative rate kinetics aqueous sulfate radical reaction with some atmospherically relevant compounds
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Mass Spectrometric Experimental and Theoretical Quantification of Reaction Kinetics, Thermodynamics and Diffusion of Piperazine Heterocyclics in Solution - experimental mass spectrometric dataset
<p>Experimental mass spectrometric dataset to the book chapter.</p>
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Allen Brain Atlas
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International Brain Laboratory public data
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OpenNeuro
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