Modeling and Simulation in Polymer Reaction Engineering

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Materials Processes".

Deadline for manuscript submissions: 20 October 2024 | Viewed by 1503

Special Issue Editor


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Guest Editor
Laboratoire Réactions et Génie des Procédés, Université de Lorraine, CNRS, LRGP, F-54000 Nancy, France
Interests: mathematical modeling; polymer reaction engineering; monte carlo methods; machine learning techniques; product design approach; design of experiments
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Special Issue Information

Dear Colleagues,

Polymers have been around for several decades and have greatly contributed to the improvement of our everyday lives in countless ways. However, they have never before been under as much scrutiny on the global stage as currently, for both good and bad reasons. Polymer science is faced with a tremendous challenge where it needs to respond to an increasing demand for tailored-property products while, at the same time, reducing their need for resources (both material and energy-wise), expanding their useful life and/or improving their circularity.

Mathematical modeling is one of the main tools that has been traditionally employed in polymer reaction engineering (PRE) in an attempt to better understand, describe, predict and ultimately optimize polymerization systems. To this end, several mathematical tools and approaches have been proposed, varying from traditional lumped or distributed deterministic models to detailed topological stochastic algorithms and, more recently (i.e., at least in its current widespread and more powerful form), to powerful data-driven machine learning methods.

This Special Issue welcomes original contributions in the broader area of PRE, including (but not limited to) the following methods and applications:

  • Modeling and simulation of commodity polymer production processes, in view of optimizing polymer quality or productivity indicators;
  • Modeling of processes involving the synthesis or the modification of bio-sourced polymers;
  • Modeling of polymer recycling techniques, including solvent-based, mechanical and chemical;
  • Modeling of enzymatic or bioorganism-assisted degradation of polymeric materials;
  • Exact microstructural modeling of non-linear, multi-monomer or multi-functionnal polymers;
  • Modeling of highly dimensional, complex polymerization systems.

Dr. Dimitrios Meimaroglou
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Processes is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • polymer reaction engineering
  • methods of moments
  • discretization methods
  • stochastic Monte Carlo simulations
  • artificial neural networks
  • support vector machines
  • polymer recycling processes

Published Papers (1 paper)

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Review

20 pages, 15096 KiB  
Review
Self-Assembly in Curved Space: Ordering, Defect and Entropy
by Yuming Wang, Haixiao Wan, Lijuan Gao, Yibo Wu and Li-Tang Yan
Processes 2024, 12(1), 119; https://doi.org/10.3390/pr12010119 - 2 Jan 2024
Viewed by 1281
Abstract
Self-assembly of nanoscale objects is of essential importance in materials science, condensed matter physics, and biophysics. Curvature modifies the principles and sequence of self-assembly in Euclidean space, resulting in unique and more complex structures. Understanding self-assembly behavior in curved space is not only [...] Read more.
Self-assembly of nanoscale objects is of essential importance in materials science, condensed matter physics, and biophysics. Curvature modifies the principles and sequence of self-assembly in Euclidean space, resulting in unique and more complex structures. Understanding self-assembly behavior in curved space is not only instrumental for designing structural building blocks and assembly processes from a bottom-up perspective but is also critically important for delineating various biological systems. In this review, we summarize efforts made to unveil the physical nature of self-assembly in curved space through experiments and simulations. First, we outline the differences in the physical nature of self-assembly between curved space and Euclidean space by presenting relevant results of experiments and simulations. Second, we explore the principles of self-assembly in curved space at multiple scales and interactions, elucidating important factors that govern the self-assembly process from the perspectives of confinement and structural building blocks. Finally, we enumerate practical applications and control strategies for self-assembly in curved space and outline the challenges and prospects in this field. We hope that this review will encourage further efforts toward fundamental research and broaden the potential applications of designed assemblies in curved space. Full article
(This article belongs to the Special Issue Modeling and Simulation in Polymer Reaction Engineering)
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