Dynamic optimization of an emulsion copolymerization process for product quality using a deterministic kinetic model with embedded Monte Carlo simulations

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F19%3A43919973" target="_blank" >RIV/60461373:22340/19:43919973 - isvavai.cz</a>

Result on the web

<a href="https://www.sciencedirect.com/science/article/pii/S0098135419305472?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0098135419305472?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.compchemeng.2019.106566" target="_blank" >10.1016/j.compchemeng.2019.106566</a>

Result language

angličtina

Original language name

Dynamic optimization of an emulsion copolymerization process for product quality using a deterministic kinetic model with embedded Monte Carlo simulations

Original language description

We present the dynamic optimization of an emulsion copolymerization process described by a deterministic kinetic ordinary differential equation model including a stochastic Monte Carlo submodel, describing the growth of polymer chains within particles. For the considered semi-batch operation, the time dependent input trajectories for monomer and initiator flow rates are optimized along with the isothermal reactor temperature. We use the surrogate-model-based optimizer MATSuMoTo for the optimization to avoid the need to compute derivatives of the stochastic model. Radial basis functions with linear polynomial tails are selected as surrogate functions which are updated during optimization by the newly evaluated points. A relevant application problem formulation together with results for two case studies are presented. Qualitatively similar input trajectories are obtained for different optimization runs due to the stochastic process and the limited number of iterations. All solutions reduce the batch time significantly. © 2019

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

20401 - Chemical engineering (plants, products)

Project

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Continuities

R - Projekt Ramcoveho programu EK

Publication year

2019

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

COMPUTERS &amp; CHEMICAL ENGINEERING

ISSN

0098-1354

e-ISSN

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Volume of the periodical

130

Issue of the periodical within the volume

2. listopad 2019

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

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UT code for WoS article

000489333200016

EID of the result in the Scopus database

2-s2.0-85072187729