Mathematical Modeling in Gel Design and Applications

A special issue of Gels (ISSN 2310-2861). This special issue belongs to the section "Gel Processing and Engineering".

Deadline for manuscript submissions: 30 November 2024 | Viewed by 833

Special Issue Editors


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Guest Editor
Faculty of Chemistry and Chemical Technology, University of Ljubljana, 1000 Ljubljana, Slovenia
Interests: biopolymers; hydrogels; rheology; mathematical modeling; controlled release technology; biomedical applications

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Guest Editor
Faculty of Chemistry and Chemical Technology, University of Ljubljana, 1000 Ljubljana, Slovenia
Interests: development of porous polymer materials; mathematical modeling of downstream processes; development of smart responsive materials; design of responsive hydrogels; design of microfluidic devices

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Guest Editor
Department of Chemistry, Materials and Chemical Engineering “Giulio Natta”, Politecnico di Milano, Via Mancinelli 7, 20131 Milan, Italy
Interests: colloids; drug delivery; nanogels; tissue engineering; transport phenomena
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Special Issue Information

Dear Colleagues,

This Special Issue, titled “Mathematical Modeling in Gel Design and Applications”, aims to improve the understanding of gel network formation and their behavior under various stimuli such as temperature, pH, electromagnetic radiation, magnetic fields or the presence of certain biological factors.

Focusing on the critical role of mathematical modeling, this issue seeks contributions that develop models to predict design parameters that are crucial for the development of gels with specific properties according to application requirements. By reducing th experimental effort, these models not only save time and cost but also promote more sustainable research practices. Understanding the gelation process is crucial for the design of gels. Mathematical modeling plays a crucial role here as it enables the prediction of key design parameters such as cross-link density, shear modulus, mesh size, drug diffusion coefficient, viscosity and critical stress. By accurately modeling these aspects, we can more efficiently develop gels with specific properties that match the desired properties according to the application requirements.

Papers dealing with the mathematical modeling of gel network formation during the gelation process are very welcome in this Special Issue. Research into the interactions between polymer chains, swelling/shrinkage behavior and rheological properties to enrich the mathematical models is also particularly appealing.

Dr. Tilen Kopač
Dr. Rok Ambrožič
Dr. Filippo Rossi
Guest Editors

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. Gels 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 2100 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

  • polymers
  • gels
  • mathematical modeling
  • gelation
  • cross-link density
  • shear modulus
  • mesh size
  • diffusion coefficient
  • gel network interactions
  • mechanical properties
  • flow behavior
  • controlled release

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Published Papers (1 paper)

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Research

22 pages, 1873 KiB  
Article
Diffusion Correction in Fricke Hydrogel Dosimeters: A Deep Learning Approach with 2D and 3D Physics-Informed Neural Network Models
by Mattia Romeo, Grazia Cottone, Maria Cristina D’Oca, Antonio Bartolotta, Salvatore Gallo, Roberto Miraglia, Roberta Gerasia, Giuliana Milluzzo, Francesco Romano, Cesare Gagliardo, Fabio Di Martino, Francesco d’Errico and Maurizio Marrale
Gels 2024, 10(9), 565; https://doi.org/10.3390/gels10090565 - 30 Aug 2024
Viewed by 612
Abstract
In this work an innovative approach was developed to address a significant challenge in the field of radiation dosimetry: the accurate measurement of spatial dose distributions using Fricke gel dosimeters. Hydrogels are widely used in radiation dosimetry due to their ability to simulate [...] Read more.
In this work an innovative approach was developed to address a significant challenge in the field of radiation dosimetry: the accurate measurement of spatial dose distributions using Fricke gel dosimeters. Hydrogels are widely used in radiation dosimetry due to their ability to simulate the tissue-equivalent properties of human tissue, making them ideal for measuring and mapping radiation dose distributions. Among the various gel dosimeters, Fricke gels exploit the radiation-induced oxidation of ferrous ions to ferric ions and are particularly notable due to their sensitivity. The concentration of ferric ions can be measured using various techniques, including magnetic resonance imaging (MRI) or spectrophotometry. While Fricke gels offer several advantages, a significant hurdle to their widespread application is the diffusion of ferric ions within the gel matrix. This phenomenon leads to a blurring of the dose distribution over time, compromising the accuracy of dose measurements. To mitigate the issue of ferric ion diffusion, researchers have explored various strategies such as the incorporation of additives or modification of the gel composition to either reduce the mobility of ferric ions or stabilize the gel matrix. The computational method proposed leverages the power of artificial intelligence, particularly deep learning, to mitigate the effects of ferric ion diffusion that can compromise measurement precision. By employing Physics Informed Neural Networks (PINNs), the method introduces a novel way to apply physical laws directly within the learning process, optimizing the network to adhere to the principles governing ion diffusion. This is particularly advantageous for solving the partial differential equations that describe the diffusion process in 2D and 3D. By inputting the spatial distribution of ferric ions at a given time, along with boundary conditions and the diffusion coefficient, the model can backtrack to accurately reconstruct the original ion distribution. This capability is crucial for enhancing the fidelity of 3D spatial dose measurements, ensuring that the data reflect the true dose distribution without the artifacts introduced by ion migration. Here, multidimensional models able to handle 2D and 3D data were developed and tested against dose distributions numerically evolved in time from 20 to 100 h. The results in terms of various metrics show a significant agreement in both 2D and 3D dose distributions. In particular, the mean square error of the prediction spans the range 1×1061×104, while the gamma analysis results in a 90–100% passing rate with 3%/2 mm, depending on the elapsed time, the type of distribution modeled and the dimensionality. This method could expand the applicability of Fricke gel dosimeters to a wider range of measurement tasks, from simple planar dose assessments to intricate volumetric analyses. The proposed technique holds great promise for overcoming the limitations imposed by ion diffusion in Fricke gel dosimeters. Full article
(This article belongs to the Special Issue Mathematical Modeling in Gel Design and Applications)
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