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Catalysis

Working Paper

Bulky phosphine ligands promote palladium-catalyzed protodeboronation

Cher Tian Ser, Han Hao, Sergio Pablo-García, Kjell Jorner, Shangyu Li, Robert Pollice, Alán Aspuru-Guzik

Version 2 posted 28 January 2025

1,120

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Catalysis

Working Paper

Towards a greener electrosynthesis: pairing machine learning and 3D printing for rapid optimisation of anodic trifluoromethylation

Nipun Kumar Gupta, Yilin Guo, Soon Yee Chang, Jing Lin, Zi Hui Jonathan Khoo, Riko I Made, Zi En Ooi, Carina Yi Jing Lim, Chow Hern Lee, M Sivapaalan, Yee-Fun Lim, Edwin Khoo, Lu Wen Feng, Yanwei Lum, Albertus Denny Handoko

Version 1 posted 09 October 2023

265

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Chemical Engineering and Industrial Chemistry

Working Paper

A Detailed Chemical Kinetic Model for the Destruction of Per- and Polyfluoroalkyl Substances (PFAS): Pyrolysis and Incineration of Short-Chain Perfluorinated Carboxylic and Sulfonic Acids

Milad Narimani, Yasir Khan, Gabriel da Silva

Version 1 posted 08 December 2022

829

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Analytical Chemistry

Working Paper

Importance of Diffusional Constraints for the Quantitative Evaluation of Calibration Curves of Enzymatic Micro- and Nanoelectrochemical Sensors

Reina Dannaoui, Xiao-Ke Yang, Wei-Hua Huang, Irina Svir, Christian Amatore, Alexander Oleinick

Version 1 posted 22 August 2023

137

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Materials Science

Working Paper

Radiolysis-Driven Evolution of Gold Nanostructures – Model Verification by Scale Bridging in situ Liquid-Phase Transmission Electron Microscopy and X-ray Diffraction

Birk Fritsch, Tobias Sebastian Zech, Mark Peter Bruns, Andreas Körner, Saba Khadivianazar, Mingjian Wu, Neda Zargar Talebi, Sannakaisa Virtanen, Tobias Unruh, Michael Peter Max Jank, Erdmann Spiecker, Andreas Hutzler

Version 2 posted 08 April 2022

294

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Chemical Engineering and Industrial Chemistry

Working Paper

Embedding Physics into Neural ODEs to learn Kinetics from Integral Reactors

Tim Kircher, Felix Döppel, Martin Votsmeier

Version 2 posted 07 March 2024

423

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Physical Chemistry

Working Paper

A Revised Pseudo-Second Order Kinetic Model for Adsorption, Sensitive to Changes in Sorbate and Sorbent Concentrations

JAY BULLEN, Sarawud Saleesongsom, Dominik Weiss

Version 1 posted 20 March 2020

5,542

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1

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Catalysis

Working Paper

Kinetic Assessment of the Dry Reforming of Methane over a Solid Solution Ni–La Oxide Catalyst

Victor Stivenson Sandoval-Bohorquez, Edgar M. Morales-Valencia, Carlos Omar Castillo-Araiza, Luz Marina Ballesteros Rueda, Víctor Gabriel Baldovino Medrano

Version 1 posted 16 March 2021

1,039

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Catalysis

Working Paper

Kinetics-Constrained Neural Ordinary Differential Equations: Artificial Neural Network Models tailored for Small Data to boost Kinetic Model Development

Aleksandr Fedorov, Anna Perechodjuk, David Linke

Version 1 posted 15 May 2023

1,053

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Chemical Engineering and Industrial Chemistry

Working Paper

A neural network with embedded stoichiometry and thermodynamics for learning kinetics from reactor data

Tim Kircher, Felix Döppel, Martin Votsmeier

Version 1 posted 14 September 2023

771

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Refine Search

12 results in Kinetic modelling in Keywords: Kinetic modelling

Bulky phosphine ligands promote palladium-catalyzed protodeboronation

Towards a greener electrosynthesis: pairing machine learning and 3D printing for rapid optimisation of anodic trifluoromethylation

A Detailed Chemical Kinetic Model for the Destruction of Per- and Polyfluoroalkyl Substances (PFAS): Pyrolysis and Incineration of Short-Chain Perfluorinated Carboxylic and Sulfonic Acids

Importance of Diffusional Constraints for the Quantitative Evaluation of Calibration Curves of Enzymatic Micro- and Nanoelectrochemical Sensors

Radiolysis-Driven Evolution of Gold Nanostructures – Model Verification by Scale Bridging in situ Liquid-Phase Transmission Electron Microscopy and X-ray Diffraction

Embedding Physics into Neural ODEs to learn Kinetics from Integral Reactors

A Revised Pseudo-Second Order Kinetic Model for Adsorption, Sensitive to Changes in Sorbate and Sorbent Concentrations

Kinetic Assessment of the Dry Reforming of Methane over a Solid Solution Ni–La Oxide Catalyst

Kinetics-Constrained Neural Ordinary Differential Equations: Artificial Neural Network Models tailored for Small Data to boost Kinetic Model Development

A neural network with embedded stoichiometry and thermodynamics for learning kinetics from reactor data

12 results in Keywords: Kinetic modelling