Results 171 to 180 of about 61,380 (270)

Data‐driven simulation of crude distillation using Aspen HYSYS and comparative machine learning models

The Canadian Journal of Chemical Engineering, EarlyView.
Integrated Aspen HYSYS–machine learning framework for predicting product yields and quality variables. Abstract Crude oil refining is a complex process requiring precise modelling to optimize yield, quality, and efficiency. This study integrates Aspen HYSYS® simulations with machine learning techniques to develop predictive models for key refinery ...
Aldimiro Paixão Domingos, Heleno Bispo, Thiago Vaz da Costa, Sérgio Mauro da Silva Neiro   +3 more
wiley   +1 more source

A hidden Markov model and reinforcement learning‐based strategy for fault‐tolerant control

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract This study introduces a data‐driven control strategy integrating hidden Markov models (HMM) and reinforcement learning (RL) to achieve resilient, fault‐tolerant operation against persistent disturbances in nonlinear chemical processes. Called hidden Markov model and reinforcement learning (HMMRL), this strategy is evaluated in two case studies
Tamera Leitao, Debaprasad Dutta, Simant R. Upreti   +2 more
wiley   +1 more source

Artificial intelligence in enzyme catalysis: Emerging trends and applications in biocatalyst engineering

The Canadian Journal of Chemical Engineering, EarlyView.
Schematic representation of artificial intelligence approaches in enzyme catalysis, integrating bibliometric analysis, emerging research trends, and machine learning tools for enzyme design, prediction, and industrial biocatalytic applications. Abstract This study systematically explores the applications of artificial intelligence (AI) in enzyme ...
Misael Bessa Sales, Francisco Izaias da Silva Aires, Paulo Gonçalves de Sousa Junior, Calebe Da Rocha Silva, Emanuel Lino Rodrigues, Maria Cristiane Martins de Souza, José C. S. dos Santos   +6 more
wiley   +1 more source

Clathrate hydrate crystallization

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract Clathrate hydrate crystallization has been an area of interest to chemical engineers from the point of view of crystal structure, thermophysical properties, phase equilibria, kinetics, industrial applications, and environmental (climate change) implications.
Peter Englezos
wiley   +1 more source

Thermodynamics à la Souriau on Kähler Non-Compact Symmetric Spaces for Cartan Neural Networks. [PDF]

Entropy (Basel)
Fré PG, Sorin AS, Trigiante M.
europepmc   +1 more source

Repurposing Drugs for Malaria through a Human Dose Prediction: A Case Study with Berzosertib

Clinical Pharmacology &Therapeutics, EarlyView.
Repurposing drugs whose clinical safety has been established offers a valuable approach to reduce the cost and time associated with the development of new drugs for malaria. Here, we investigate the potential to repurpose the anticancer kinase inhibitor berzosertib for the treatment of malaria, by assessing whether a predicted efficacious human dose ...
Devasha Redhi, Mwila Mulubwa, Mmakwena M. Mmonwa, Mathew Njoroge, Liezl Krugmann, Kelly Chibale   +5 more
wiley   +1 more source

Dynamics, Noise, Delays and the Gibbs and Conditional Entropy. [PDF]

Entropy (Basel)
Mackey MC, Tyran-Kamińska M.
europepmc   +1 more source

Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods

Contributions to Plasma Physics, EarlyView.
ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost, Christopher Makait, Alexander Osterkorn, Erik Schroedter   +3 more
wiley   +1 more source

A Review of Grain Boundaries: Formation Mechanism, Synthesis Strategy, and Application in Electrocatalysis

EcoEnergy, EarlyView.
An overview of grain boundary engineering in the field of electrocatalysis. ABSTRACT Key electrocatalytic reactions such as HER, OER, ORR, CO2RR, and NRR offer promising routes for storing renewable energy as chemical fuels. However, their widespread application is constrained due to the lack of highly active and stable catalysts. Grain boundaries (GBs)
Jingyu Gao, Fengming Zhou, Xinying Li, Ying Deng, Zexing Wu, Siyuan Feng, Yujing Zhu, Dan Zhang, Zhenyu Xiao   +8 more
wiley   +1 more source

Non-Markovian Entropy Dynamics in Living Systems from the Keldysh Formalism. [PDF]

Entropy (Basel)
Liu F, Guo M, Tan H, Wang Y.
europepmc   +1 more source