Integrating machine learning to uncover homogeneous catalytic mechanisms in N‐vinyl‐pyrrolidone synthesis
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DOI: 10.1002/aic.18724
Abstract: Combining machine learning, density functional theory (DFT) calculation, and kinetic modeling offers significant advantages in studying reactions under complex conditions, enabling a detailed exploration of reaction mechanisms. Artificial neural network (ANN) models accurately predict and… read more here.
Keywords: reaction; homogeneous catalytic; machine learning; integrating machine ... See more keywords
Heat and mass transfer coefficients and bifurcation analysis of coupled homogeneous-catalytic reactions
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DOI: 10.1016/j.cej.2017.02.142
Abstract: Abstract We analyze the problem of flow in a channel with homogeneous reaction(s) in the bulk and catalytic reaction(s) on the wall and develop a reduced order 3-mode model in terms of mixing-cup, wall and… read more here.
Keywords: transfer coefficients; mass transfer; coupled homogeneous; transfer ... See more keywords