A review on the modeling and validation of biomass pyrolysis with a focus on product yield and composition [PDF]
Biofuel Research Journal, 2021 Modeling is regarded as a suitable tool to improve biomass pyrolysis in terms of efficiency, product yield, and controllability. However, it is crucial to develop advanced models to estimate products' yield and composition as functions of biomass type ...
Changlei Xia +5 more
doaj +1 more source
On the use of real-world datasets for reaction yield prediction
Chemical Science, 2021 The lack of publicly available, large, and unbiased datasets is a key bottleneck for the application of machine learning (ML) methods in synthetic chemistry.
M. Saebi +10 more
semanticscholar +1 more source
Machine Learning and Quantum Calculation for Predicting Yield in Cu-Catalyzed P–H Reactions
Molecules, 2023 The paper discussed the use of machine learning (ML) and quantum chemistry calculations to predict the transition state and yield of copper-catalyzed P–H insertion reactions.
Youfu Ma +8 more
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Heat balance analysis in electric arc furnace for process improvement [PDF]
E3S Web of Conferences, 2020 The current study deals with optimizing the melting process used in electric arc furnace by heat balance equations. Heat balance is a very important aspect in an arc furnace in which the energy input consists of electrical energy [65%], chemical energy ...
Ohol Sandeep +3 more
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Foods, 2021 Enzymatic degumming is a well established process in vegetable oil refinement, resulting in higher oil yield and a more stable downstream processing compared to traditional degumming methods using acid and water. During the reaction, phospholipids in the
Jakob Forsberg +3 more
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Flux networks in metabolic graphs [PDF]
, 2009 A metabolic model can be represented as bipartite graph comprising linked reaction and metabolite nodes. Here it is shown how a network of conserved fluxes can be assigned to the edges of such a graph by combining the reaction fluxes with a conserved ...
Dantzig G B +9 more
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Are we Making Much Progress? Revisiting Chemical Reaction Yield Prediction from an Imbalanced Regression Perspective [PDF]
The Web ConferenceThe yield of a chemical reaction quantifies the percentage of the target product formed in relation to the reactants consumed during the chemical reaction.
Yihong Ma +6 more
semanticscholar +1 more source
Stereolithography Cure Process Modeling Using Acrylate Resin [PDF]
, 2004 In this paper, a complex stereolithography (SL) cure process model is presented that incorporates transient thermal and chemical effects which influence final part shape and properties.
Henderson, Clifford L. +3 more
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Novel Dynamic Cleaning Model for Cyclic Operation of Biodiesel Membrane Reactors
Chemical Engineering Transactions, 2021 A membrane reactor produces high-quality biodiesel by combining both reaction and separation in a single unit. However, the reactor has disadvantages such as high operating expense and reduced efficiency over time due to membrane fouling.
Thien An Huynh +3 more
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Reaction classification and yield prediction using the differential reaction fingerprint DRFP
Digital Discovery, 2021 Predicting the nature and outcome of reactions using computational methods is a crucial tool to accelerate chemical research. The recent application of deep learning-based learned fingerprints to reaction classification and reaction yield prediction has ...
Daniel Probst, P. Schwaller, J. Reymond
semanticscholar +1 more source