کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4764580 1423736 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Application and comparison of derivative-free optimization algorithms to control and optimize free radical polymerization simulated using the kinetic Monte Carlo method
ترجمه فارسی عنوان
کاربرد و مقایسه الگوریتم های بهینه سازی مشتق شده رایگان برای کنترل و بهینه سازی پلیمریزاسیون رادیکال آزاد با استفاده از روش مین کارلو
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
چکیده انگلیسی


- Developed a derivative-free optimization framework coupled with KMC simulations.
- Compared different methods to evaluate efficiency.
- Achieved multi-objective optimization for polymerization including sequence.

The diversity of the potential arrangements of multiple monomers along the length of polymer chains and their impact on polymer properties spark interest in the design of polymer sequence characteristics for particular applications. Kinetic Monte Carlo (KMC) is a technique that can track the explicit arrangement of monomers in the polymer chains, yet it is difficult to integrate with conventional gradient-based optimization algorithms that are typically invoked to design polymer properties. In this work, we applied and compared derivative-free optimization algorithms to incorporate KMC simulations and find synthesis conditions for achieving property targets and minimizing reaction time, advancing our ability to carry out the design of polymer microstructures and control polymerization processes.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computers & Chemical Engineering - Volume 108, 4 January 2018, Pages 268-275
نویسندگان
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