Heuristic Search Strategy for Transforming Microstructural Patterns to Optimal Copolymerization Recipes

Heuristic Search Strategy for Transforming Microstructural Patterns to Optimal Copolymerization... Manipulation and optimization of copolymer microstructure for tailoring final properties is of great importance in macromolecular science and engineering. Uncovering the complexities of the interrelationships between copolymerization recipe and copolymer microstructure (a challenging field of study in its own right) is a multiobjective optimization problem, which has attracted a lot of attention in the last 10–15 years. In the present study, a powerful optimizer is developed based on the Non‐dominated Sorting Genetic Algorithm (NSGA‐II) for transforming desired microstructural copolymerization profiles, including molecular weight distribution and chemical composition distribution, back to optimal copolymerization recipes and operating conditions. The optimizer developed has the beneficial features of robust machine learning and multiobjective optimization based upon heuristic search strategies. The metallocene‐catalyzed ethylene/α‐olefin copolymerization is selected as a sufficiently complex system to challenge the proposed optimization tool. The developed computer code is used to explore copolymerization recipes (polymerization temperature and concentrations of ethylene, 1butene, cocatalyst, and hydrogen) needed to synthesize copolymers having desired microstructural features. Based on the results obtained, it is now possible to produce various grades or tailor‐make the copolymer structure by suggesting the “best” copolymerization recipe/conditions as reliably as possible. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Macromolecular Theory and Simulations Wiley

Heuristic Search Strategy for Transforming Microstructural Patterns to Optimal Copolymerization Recipes

Loading next page...
 
/lp/wiley/heuristic-search-strategy-for-transforming-microstructural-patterns-to-GctzXVQ84o
Publisher
Wiley Subscription Services, Inc., A Wiley Company
Copyright
© 2018 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
ISSN
1022-1344
eISSN
1521-3919
D.O.I.
10.1002/mats.201700088
Publisher site
See Article on Publisher Site

Abstract

Manipulation and optimization of copolymer microstructure for tailoring final properties is of great importance in macromolecular science and engineering. Uncovering the complexities of the interrelationships between copolymerization recipe and copolymer microstructure (a challenging field of study in its own right) is a multiobjective optimization problem, which has attracted a lot of attention in the last 10–15 years. In the present study, a powerful optimizer is developed based on the Non‐dominated Sorting Genetic Algorithm (NSGA‐II) for transforming desired microstructural copolymerization profiles, including molecular weight distribution and chemical composition distribution, back to optimal copolymerization recipes and operating conditions. The optimizer developed has the beneficial features of robust machine learning and multiobjective optimization based upon heuristic search strategies. The metallocene‐catalyzed ethylene/α‐olefin copolymerization is selected as a sufficiently complex system to challenge the proposed optimization tool. The developed computer code is used to explore copolymerization recipes (polymerization temperature and concentrations of ethylene, 1butene, cocatalyst, and hydrogen) needed to synthesize copolymers having desired microstructural features. Based on the results obtained, it is now possible to produce various grades or tailor‐make the copolymer structure by suggesting the “best” copolymerization recipe/conditions as reliably as possible.

Journal

Macromolecular Theory and SimulationsWiley

Published: Jan 1, 2018

Keywords: ; ; ; ; ;

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 12 million articles from more than
10,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Unlimited reading

Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere.

Stay up to date

Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates.

Organize your research

It’s easy to organize your research with our built-in tools.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve Freelancer

DeepDyve Pro

Price
FREE
$49/month

$360/year
Save searches from
Google Scholar,
PubMed
Create lists to
organize your research
Export lists, citations
Read DeepDyve articles
Abstract access only
Unlimited access to over
18 million full-text articles
Print
20 pages/month
PDF Discount
20% off