Search Results - "Gusmão, Gabriel S"

Model-Based Design of Experiments for Temporal Analysis of Products (TAP): A Simulated Case Study in Oxidative Propane Dehydrogenation by Yonge, Adam, Gusmão, Gabriel S., Fushimi, Rebecca, Medford, Andrew J.

“…Temporal analysis of products (TAP) reactors enable experiments that probe numerous kinetic processes within a single set of experimental data through…”
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Direct aromatization of CO2 via combined CO2 hydrogenation and zeolite-based acid catalysis by Nezam, Iman, Zhou, Wei, Gusmão, Gabriel S., Realff, Matthew J., Wang, Ye, Medford, Andrew J., Jones, Christopher W.

“…•Two main categories of tandem catalysts for CO2 aromatization are reviewed.•Key parameters that determine the catalytic performance are…”
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Quantifying the impact of temporal analysis of products reactor initial state uncertainties on kinetic parameters by Yonge, Adam, Gusmão, Gabriel S., Batchu, Rakesh, Kunz, M. Ross, Fang, Zongtang, Fushimi, Rebecca, Medford, Andrew J.

“…The temporal analysis of products (TAP) reactor provides a route to extract intrinsic kinetics from transient measurements. Current TAP uncertainty…”
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Mechanism of CO2 reduction by H2 on Ru(0001) and general selectivity descriptors for late-transition metal catalysts by Avanesian, Talin, Gusmão, Gabriel S., Christopher, Phillip

“…[Display omitted] •CO2 reduction by H2 on Ru studied with DFT calculations and microkinetic modeling.•CO∗ is common intermediate for competing CH4 and CO…”
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A general and robust approach for defining and solving microkinetic catalytic systems by Gusmão, Gabriel S., Christopher, Phillip

“…Recent approaches for the rational design of heterogeneous catalysts have relied on first‐principles‐based microkinetic modeling to efficiently screen large…”
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Maximum-likelihood estimators in physics-informed neural networks for high-dimensional inverse problems by Gusmão, Gabriel S., Medford, Andrew J.

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Kinetics-informed neural networks by Gusmão, Gabriel S., Retnanto, Adhika P., Cunha, Shashwati C. da, Medford, Andrew J.

“…Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction…”
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Micro-kinetic modeling of temporal analysis of products data using kinetics-informed neural networks by Nai, Dingqi, Gusmão, Gabriel S., Kilwein, Zachary A., Boukouvala, Fani, Medford, Andrew J.

“…The temporal analysis of products (TAP) technique produces extensive transient kinetic data sets, but it is challenging to translate the large quantity of raw…”
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Kinetics-Informed Neural Networks by Gusmão, Gabriel S., Retnanto, Adhika P., Da Cunha, Shashwati C., Medford, Andrew J.

“…Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction…”
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Role of Catalyst Domain Size in the Hydrogenation of CO2 to Aromatics over ZnZrO x /ZSM‑5 Catalysts by Nezam, Iman, Zhou, Wei, Shah, Dhrumil R., Bukhovko, Maxim P., Ball, Madelyn R., Gusmão, Gabriel S., Medford, Andrew J., Jones, Christopher W.

“…The direct conversion of carbon dioxide into aromatic compounds may provide an environmentally friendly resource for a family of chemical building blocks with…”
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Role of Catalyst Domain Size in the Hydrogenation of CO 2 to Aromatics over ZnZrO x /ZSM-5 Catalysts by Nezam, Iman, Zhou, Wei, Shah, Dhrumil R., Bukhovko, Maxim P., Ball, Madelyn R., Gusmão, Gabriel S., Medford, Andrew J., Jones, Christopher W.

“…The direct conversion of carbon dioxide into aromatic compounds may provide an environmentally friendly resource for a family of chemical building blocks with…”
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Training Stiff Dynamic Process Models via Neural Differential Equations by Bradley, William, Gusmão, Gabriel S., Medford, Andrew J., Boukouvala, Fani

“…A common step in developing generalizable, dynamic mechanistic models is to fit unmeasured parameters to measured data. Fitting differential equation-based…”
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Direct aromatization of CO2 via combined CO2 hydrogenation and zeolite-based acid catalysis by Nezam, Iman, Zhou, Wei, Gusmão, Gabriel S., Realff, Matthew J., Wang, Ye, Medford, Andrew J., Jones, Christopher W.

“…Aromatics, including benzene, toluene, and xylenes (BTX), are essential chemical building blocks and are widely used as solvents, fuel additives, and polymers…”
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Online Graduate Certificate in Data Science for the Chemical Industry by Medford, Andrew J, Boukouvala, Fani, Grover, Martha A, Sholl, David, Meredith, Carson, Cheng, Pengfei, Choi, Sihoon, Gusmão, Gabriel S, Kilwein, Zachary, Ravutla, Suryateja, Wirth, Fatimah, Wooley, Jennifer, Sewer, Zaid

“…The Graduate Certificate in Data Science for the Chemical Industries was designed to provide skills to working professionals, via a fully online and…”
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Maximum-likelihood Estimators in Physics-Informed Neural Networks for High-dimensional Inverse Problems by Gusmão, Gabriel S, Medford, Andrew J

“…Physics-informed neural networks (PINNs) have proven a suitable mathematical scaffold for solving inverse ordinary (ODE) and partial differential equations…”
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Fitting micro-kinetic models to transient kinetics of temporal analysis of product reactors using kinetics-informed neural networks by Nai, Dingqi, Gusmão, Gabriel S, Kilwein, Zachary A, Boukouvala, Fani, Medford, Andrew J

“…The temporal analysis of products (TAP) technique produces extensive transient kinetic data sets, but it is challenging to translate the large quantity of raw…”
Get full text

Quantifying the impact of temporal analysis of products reactor initial state uncertainties on kinetic parameters by Yonge, Adam, Kunz, M. Ross, Gusmao, Gabriel S., Fang, Zongtang, Batchu, Rakesh, Fushimi, Rebecca R., Medford, Andrew J.

“…The temporal analysis of products (TAP) reactor, a transient kinetic tool, provides users with information as the catalyst state evolves. However, the state of…”
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Model-based design of temporal analysis of products (TAP) reactors: A simulated case study in oxidative propane dehydrogenation by Yonge, Adam C, Gusmão, Gabriel S, Fushimi, Rebecca, Medford, A. J

“…Temporal analysis of products (TAP) reactors enable experiments that probe numerous kinetic processes within a single set of experimental data through…”
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Kinetics-Informed Neural Networks by Gusmão, Gabriel S, Retnanto, Adhika P, da Cunha, Shashwati C, Medford, Andrew J

“…Chemical kinetics and reaction engineering consists of the phenomenological framework for the disentanglement of reaction mechanisms, optimization of reaction…”
Get full text