Unraveling the high reactivity of 3-methyltetrahydrofuran over 2-methyltetrahydrofuran through kinetic modeling and experiments

2019 ◽  
Vol 37 (1) ◽  
pp. 221-230 ◽  
Author(s):  
Rupali Tripathi ◽  
Ajoy Kumar Ramalingam ◽  
Heiko Minwegen ◽  
Awad B.S. Alquaity ◽  
Karl Alexander Heufer ◽  
...  
Keyword(s):  
Kinetic Modeling ◽  
High Reactivity ◽  
Modeling And Experiments

scholarly journals Combustion of C1 and C2 PFAS: Kinetic Modeling and Experiments

2022 ◽  
Author(s):  
Jonathan D. Krug ◽  
Paul M. Lemieux ◽  
Chun-Wai Lee ◽  
Jeffrey V. Ryan ◽  
Peter H. Kariher ◽  
...  
Keyword(s):  
Kinetic Modeling ◽  
Modeling And Experiments

Allene oxidation in jet-stirred reactor : a kinetic modeling study

1990 ◽  
Vol 87 ◽  
pp. 1159-1172 ◽  
Author(s):  
P Dagaut ◽  
M Cathonnet ◽  
B Aboussi ◽  
JC Boettner
Keyword(s):  
Kinetic Modeling ◽  
Stirred Reactor ◽  
Allene Oxidation ◽  
Modeling Study

Role of Aluminium on the Microstructure and Corrosion Behaviour of Magnesium Prepared by Powder Metallurgy Method

2020 ◽  
Vol 17 (3) ◽  
pp. 8206-8213
Author(s):  
J. Alias
Keyword(s):  
Corrosion Resistance ◽  
Powder Metallurgy ◽  
Corrosion Behaviour ◽  
Corrosion Current ◽  
Optical Microscope ◽  
High Reactivity ◽  
Aluminium Content ◽  
Powder Metallurgy Method ◽  
X Ray Diffraction ◽  
Promising Development

Much research on magnesium (Mg) emphasises creating good corrosion resistance of magnesium, due to its high reactivity in most environments. In this study, powder metallurgy (PM) technique is used to produce Mg samples with a variation of aluminium (Al) composition. The effect of aluminium composition on the microstructure development, including the phase analysis was characterised by optical microscope (OM), scanning electron microscopy (SEM) and x-ray diffraction (XRD). The mechanical property of Mg sample was performed through Vickers microhardness. The results showed that the addition of aluminium in the synthesised Mg sample formed distribution of Al-rich phases of Mg17Al12, with 50 wt.% of aluminium content in the Mg sample exhibited larger fraction and distribution of Al-rich phases as compared to the 20 wt.% and 10 wt.% of aluminium content. The microhardness values were also increased at 20 wt.% and 50 wt.% of aluminium content, comparable to the standard microhardness value of the annealed Mg. A similar trend in corrosion resistance of the Mg immersed in 3.5 wt.% NaCl solution was observed. The corrosion behaviour was evaluated based on potentiodynamic polarisation behaviour. The corrosion current density, icorr, is observed to decrease with the increase of Al composition in the Mg sample, corresponding to the increase in corrosion resistance due to the formation of aluminium oxide layer on the Al-rich surface that acted as the corrosion barrier. Overall, the inclusion of aluminium in this study demonstrates the promising development of high corrosion resistant Mg alloys.

Estimation and Kinetic Modeling of Human Arm using Wearable Robot Arm

2016 ◽  
Vol 136 (4) ◽  
pp. 254-262 ◽  
Author(s):  
Takahiro Yamazaki ◽  
Sho Sakaino ◽  
Toshiaki Tsuji
Keyword(s):  
Kinetic Modeling ◽  
Robot Arm ◽  
Wearable Robot ◽  
Human Arm

Kinetic Solvent Effects in Organic Reactions

2017 ◽  
Author(s):  
Belinda Slakman ◽  
Richard West
Keyword(s):  
Solvent Effect ◽  
Reaction Kinetics ◽  
Computational Methods ◽  
High Throughput ◽  
Kinetic Modeling ◽  
Solvent Effects ◽  
Reaction Rates ◽  
Prior Work ◽  
Solvent Phase ◽  
High Throughput Manner

<div> <div> <div> <p>This article reviews prior work studying reaction kinetics in solution, with the goal of using this information to improve detailed kinetic modeling in the solvent phase. Both experimental and computational methods for calculating reaction rates in liquids are reviewed. Previous studies, which used such methods to determine solvent effects, are then analyzed based on reaction family. Many of these studies correlate kinetic solvent effect with one or more solvent parameters or properties of reacting species, but it is not always possible, and investigations are usually done on too few reactions and solvents to truly generalize. From these studies, we present suggestions on how best to use data to generalize solvent effects for many different reaction types in a high throughput manner. </p> </div> </div> </div>

Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols

2019 ◽  
Author(s):  
Ke-Yin Ye ◽  
Terry McCallum ◽  
Song Lin
Keyword(s):  
Ring Opening ◽  
High Reactivity ◽  
Hydrogen Atom Transfer ◽  
Organic Radicals ◽  
Epoxide Ring ◽  
Allylic Alcohols ◽  
Epoxide Ring Opening ◽  
Bond Forming ◽  
Co Catalysts ◽  
The Rich

Organic radicals are generally short-lived intermediates with exceptionally high reactivity. Strategically, achieving synthetically useful transformations mediated by organic radicals requires both efficient initiation and selective termination events. Here, we report a new catalytic strategy, namely bimetallic radical redox-relay, in the regio- and stereoselective rearrangement of epoxides to allylic alcohols. This approach exploits the rich redox chemistry of Ti and Co complexes and merges reductive epoxide ring opening (initiation) with hydrogen atom transfer (termination). Critically, upon effecting key bond-forming and -breaking events, Ti and Co catalysts undergo proton-transfer/electron-transfer with one another to achieve turnover, thus constituting a truly synergistic dual catalytic system.<br>

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