Necessity and Feasibility of 3D Simulations of Steam Cracking Reactors

2015 ◽  
Vol 54 (49) ◽  
pp. 12270-12282 ◽  
Author(s):  
Pieter A. Reyniers ◽  
Carl M. Schietekat ◽  
David J. Van Cauwenberge ◽  
Laurien A. Vandewalle ◽  
Kevin M. Van Geem ◽  
...  
Keyword(s):  
3D Simulations ◽  
Steam Cracking

Regioselective Gas-Phase n-Butane Transfer Dehydrogenation via Silica-Supported Pincer-Iridium Complexes

2020 ◽  
Author(s):  
Boris Sheludko ◽  
Cristina Castro ◽  
Chaitanya Khalap ◽  
Thomas Emge ◽  
Alan Goldman ◽  
...  
Keyword(s):  
Gas Phase ◽  
Active Site ◽  
Lower Cost ◽  
Open Systems ◽  
Iridium Complexes ◽  
Terminal Olefin ◽  
Molecular Precursors ◽  
Sterically Demanding ◽  
Olefin Production ◽  
Steam Cracking

<b>Abstract:</b> The production of olefins via on-purpose dehydrogenation of alkanes allows for a more efficient, selective and lower cost alternative to processes such as steam cracking. Silica-supported pincer-iridium complexes of the form [(≡SiO-<sup>R4</sup>POCOP)Ir(CO)] (<sup>R4</sup>POCOP = κ<sup>3</sup>-C<sub>6</sub>H<sub>3</sub>-2,6-(OPR<sub>2</sub>)<sub>2</sub>) are effective for acceptorless alkane dehydrogenation, and have been shown stable up to 300 °C. However, while solution-phase analogues of such species have demonstrated high regioselectivity for terminal olefin production under transfer dehydrogenation conditions at or below 240 °C, in open systems at 300 °C, regioselectivity under acceptorless dehydrogenation conditions is consistently low. In this work, complexes <a>[(≡SiO-<i><sup>t</sup></i><sup>Bu4</sup>POCOP)Ir(CO)] </a>(<b>1</b>) and [(≡SiO-<i><sup>i</sup></i><sup>Pr4</sup>PCP)Ir(CO)] (<b>2</b>) were synthesized via immobilization of molecular precursors. These complexes were used for gas-phase butane transfer dehydrogenation using increasingly sterically demanding olefins, resulting in observed selectivities of up to 77%. The results indicate that the active site is conserved upon immobilization.

scholarly journals 3D Simulation-Based Acoustic Wave Resonator Analysis and Validation Using Novel Finite Element Method Software

Sensors ◽  
2021 ◽  
Vol 21 (8) ◽  
pp. 2715
Author(s):  
Ruth Yadira Vidana Morales ◽  
Susana Ortega Cisneros ◽  
Jose Rodrigo Camacho Perez ◽  
Federico Sandoval Ibarra ◽  
Ricardo Casas Carrillo
Keyword(s):  
Finite Element ◽  
High Performance ◽  
Cloud Services ◽  
3D Simulation ◽  
3D Simulations ◽  
Acoustic Resonators ◽  
Analysis And Design ◽  
Wave Resonator ◽  
Film Bulk ◽  
Simulation Results

This work illustrates the analysis of Film Bulk Acoustic Resonators (FBAR) using 3D Finite Element (FEM) simulations with the software OnScale in order to predict and improve resonator performance and quality before manufacturing. This kind of analysis minimizes manufacturing cycles by reducing design time with 3D simulations running on High-Performance Computing (HPC) cloud services. It also enables the identification of manufacturing effects on device performance. The simulation results are compared and validated with a manufactured FBAR device, previously reported, to further highlight the usefulness and advantages of the 3D simulations-based design process. In the 3D simulation results, some analysis challenges, like boundary condition definitions, mesh tuning, loss source tracing, and device quality estimations, were studied. Hence, it is possible to highlight that modern FEM solvers, like OnScale enable unprecedented FBAR analysis and design optimization.

Detailed 3D-Simulations of Single Phase Reacting Flow in Randomly Packed Beds with Low Aspect Ratios

2001 ◽  
Vol 73 (6) ◽  
pp. 685-685 ◽  
Author(s):  
Hannsjörg Freund ◽  
Elias Klemm ◽  
Gerhard Emig ◽  
Thomas Zeiser ◽  
Gunther Brenner ◽  
...  
Keyword(s):  
Single Phase ◽  
Reacting Flow ◽  
Packed Beds ◽  
3D Simulations ◽  
Aspect Ratios

Steam Cracking and Steam Reforming of Waste Cooking Oil in a Tubular Stainless Steel Reactor with Wall Effects

2009 ◽  
Vol 23 (11) ◽  
pp. 5663-5676 ◽  
Author(s):  
Julien Gornay ◽  
Lucie Coniglio ◽  
Francis Billaud ◽  
Gabriel Wild
Keyword(s):  
Stainless Steel ◽  
Steam Reforming ◽  
Waste Cooking Oil ◽  
Wall Effects ◽  
Cooking Oil ◽  
Stainless Steel Reactor ◽  
Steam Cracking
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