David Schiavi's research while affiliated with Axalta Coating Systems and other places

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Publication (1)

An automated recipe generator for semi-batch solution radical copolymerization via comprehensive stochastic modeling and derivative-free algorithms
Article
  • Dec 2020
Knowledge of the average composition and molecular weights of copolymers containing functional groups is often not enough to ensure product quality, as the distribution of the reactive moieties among the chains affects performance. This work couples a kinetic Monte Carlo model, previously verified as providing an accurate description of the semi-ba...

Citations

... In particular, Lemos and Pinto [157] have coupled kMC modeling with residence time distributions to model continuous stirred tank reactors in a hybrid analytical/stochastic manner. In the series of articles by Hutchinson et al., solution kMC models have been expanded toward semi-batch reactors with instantaneous addition of the reactants at predetermined times [158][159][160][161][162][163]. This method is efficient for nonstarved feed conditions and for abundant chemical components. ...
Reference: Connecting Gas-Phase Computational Chemistry to Condensed Phase Kinetic Modeling: The State-of-the-Art
An automated recipe generator for semi-batch solution radical copolymerization via comprehensive stochastic modeling and derivative-free algorithms
Citing article
  • Dec 2020