Results 31 to 40 of about 617,908 (340)
Artificial Intelligence in Numerical Modeling of Silver Nanoparticles Prepared in Montmorillonite Interlayer Space [PDF]
Journal of Chemistry, 2013 Artificial neural network (ANN) models have the capacity to eliminate the need for expensive experimental investigation in various areas of manufacturing processes, including the casting methods.
Parvaneh Shabanzadeh +3 more
doaj +4 more sources
Pore Network Modeling of Intraparticle Transport Phenomena Accompanied by Chemical Reactions
Industrial & Engineering Chemistry ResearchIn this work, a 3D pore network model (PNM) is introduced for modeling reaction-diffusion phenomena, with and without coupled heat transfer, in a spherical porous catalyst particle. The particle geometry is generated by packing thousands of microspheres inside a large sphere to represent the 3D geometry, porosity, and tortuosity of a spherical catalyst
A. Fathiganjehlou +3 more
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Advances in Chemical Reaction Network Theory for the Identification of Kinetic Models
IFAC Proceedings Volumes, 2012 Abstract In this work, we illustrate the potential of Chemical Reaction Network Theory for model identification of kinetic models, setting up the basis for a novel method of inverse bifurcation analysis of bistable biochemical systems. The method exploits the structural properties of biochemical networks to infer the kinetic parameters from dose ...
Irene Otero‐Muras +2 more
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A chemical reaction network model of PURE
bioRxiv, 2023 Cell-free expression systems provide a method for rapid DNA circuit prototyping and functional protein synthesis. While crude extracts remain a black box with many components carrying out unknown reactions, the PURE system contains only the required ...
Zoila Jurado +2 more
semanticscholar +1 more source
The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic
The Astrophysical Journal Supplement Series, 2023 The gas-phase reaction networks are the backbone of astrochemical models. However, due to their complexity and nonlinear impact on the astrochemical modeling, they can be the first source of error in the simulations if incorrect reactions are present ...
Lorenzo Tinacci +7 more
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Reaction Networks for Interstellar Chemical Modelling: Improvements and Challenges [PDF]
Space Science Reviews, 2010 Accepted for publication in Space Science ...
Wolf D. Geppert +15 more
openaire +6 more sources
Bayesian chemical reaction neural network for autonomous kinetic uncertainty quantification.
Physical Chemistry, Chemical Physics - PCCP, 2023 Chemical reaction neural network (CRNN), a recently developed tool for autonomous discovery of reaction models, has been successfully demonstrated on a variety of chemical engineering and biochemical systems.
Qiaofeng Li +3 more
semanticscholar +1 more source
Model discrimination of chemical reaction networks by linearization [PDF]
Proceedings of the 2010 American Control Conference, 2010 Systems biologists are often faced with competing models for a given experimental system. Performing experiments can be time-consuming and expensive. Therefore, a method for designing experiments that, with high probability, discriminate between competing models is desired.
D. Georgiev, Maryam Fazel, Eric Klavins
openaire +2 more sources
Improving Chemical Reaction Prediction with Unlabeled Data
Molecules, 2022 Predicting products of organic chemical reactions is useful in chemical sciences, especially when one or more reactants are new organics. However, the performance of traditional learning models heavily relies on high-quality labeled data.
Yu Xie +4 more
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