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Gels
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Modeling and Simulation of Gel-Based Materials 2.0
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Modeling and Simulation of Gel-Based Materials 2.0

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

Deadline for manuscript submissions: closed (31 December 2022) | Viewed by 4294

Special Issue Editor

Dr. Ameya Rege

E-Mail Website
Guest Editor
Institute of Materials Research, German Aerospace Center (DLR), Linder Hoehe, 51147 Köln, Germany
Interests: sol–gel process; fundamental understanding of the correlation of the property spectrum of aerogels as a function of their nanoporous 3D network structure; application-oriented R&D of aerogels; simulation and modelling as a key to reverse engineering
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Modeling and simulations play a key role in materials science. Recent progress in the research of gel-based materials has been strongly reinforced by modeling and simulation studies. With a growing interest in this subject within the gel community, we welcome submissions related to modeling and simulation of hydrogels, aerogels, and other gel-based materials. Special attention will be given to studies that focus on the modeling of structure–property relations. The properties of interest are thermal, mechanical, acoustic or textural. We encourage submissions that describe physically motivated modeling approaches, such as micromechanical ones or molecular dynamics simulations, as well as multiscale models. Additionally of interest are submissions related to the modeling of the synthesis process of the gels or aerogels. Submissions on fundamental materials research, as well as on application-oriented simulation-based research, are welcome.

Dr. Ameya Rege
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. 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 2600 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

  • aerogels
  • hydrogels
  • structure–property modeling
  • multiscale models
  • molecular dynamics simulations
  • computational models

Published Papers (2 papers)

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Research

16 pages, 5425 KiB  
Article
A Time-Dependent Hierarchical Model for Elastic and Inelastic Scattering Data Analysis of Aerogels and Similar Soft Materials
by Cedric J. Gommes
Gels 2022, 8(4), 236; https://doi.org/10.3390/gels8040236 - 12 Apr 2022
Viewed by 1510
Abstract
Soft nanomaterials like aerogels are subject to thermal fluctuations, so that their structure randomly fluctuates with time. Neutron elastic and inelastic scattering experiments provide unique structural and dynamic information on such systems with nanometer and nanosecond resolution. The data, however, come in the [...] Read more.
Soft nanomaterials like aerogels are subject to thermal fluctuations, so that their structure randomly fluctuates with time. Neutron elastic and inelastic scattering experiments provide unique structural and dynamic information on such systems with nanometer and nanosecond resolution. The data, however, come in the form of space- and time-correlation functions, and models are required to convert them into time-dependent structures. We present here a general time-dependent stochastic model of hierarchical structures, with scale-invariant fractals as a particular case, which enables one to jointly analyze elastic and inelastic scattering data. In order to describe thermal fluctuations, the model builds on time-dependent generalisations of the Boolean model of penetrable spheres, whereby each sphere is allowed to move either ballistically or diffusively. Analytical expressions are obtained for the correlation functions, which can be used for data fitting. The model is then used to jointly analyze previously published small-angle neutron scattering (SANS) and neutron spin-echo (NSE) data measured on silica aerogels. In addition to structural differences, the approach provides insight into the different scale-dependent mobility of the aggregates that make up the aerogels, in relation with their different connectivities. Full article
(This article belongs to the Special Issue Modeling and Simulation of Gel-Based Materials 2.0)
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11 pages, 3732 KiB  
Article
Short- and Midterm Comparison of Platelet-Rich Plasma with Hyaluronic Acid versus Leucocyte and Platelet-Rich Plasma on Pain and Function to Treat Hip Osteoarthritis. A Retrospective Study
by Michelangelo Palco, Paolo Rizzo, Giorgio Carmelo Basile, Angelo Alito, Daniele Bruschetta, Maria Accorinti, Roberto Restuccia and Danilo Leonetti
Gels 2021, 7(4), 222; https://doi.org/10.3390/gels7040222 - 19 Nov 2021
Cited by 8 | Viewed by 2169
Abstract
Hip osteoarthritis (HOA) leads to pain and reduced function. The use of intra-articular injections based on corticosteroids, platelet-rich plasma (PRP), or hyaluronic acid (HA) is becoming a common symptomatic therapy for HOA. For the first time, we compare the effectiveness of plasma with [...] Read more.
Hip osteoarthritis (HOA) leads to pain and reduced function. The use of intra-articular injections based on corticosteroids, platelet-rich plasma (PRP), or hyaluronic acid (HA) is becoming a common symptomatic therapy for HOA. For the first time, we compare the effectiveness of plasma with a high concentration of platelets and leukocytes (L-PRP) with PRP+HA in patients with mild to moderate HOA. A total of 26 patients in each group were administered with either L-PRP or PRP+HA. Outcomes were evaluated at baseline, 3 months, and 1 year after the injection. The mean visual analog scale (VAS) and Harris hip score (HHS) within and between groups among different time points were compared using repeated measures ANCOVA (age set as a covariate). Both treatments were effective in reducing VAS, but not in significantly increasing HHS. In the group treated with L-PRP, VAS showed interaction between time and treatment (in favor of L-PRP). Pairwise comparison for treatment and time point evidenced a significant difference at 1-year follow-up between L-PRP and PRP-HA. Outcomes support the idea that both treatments may be effective in reducing pain, with maximal pain reduction achieved after 3 months. L-PRP showed better results in reducing VAS over time. Both treatments are effective at reducing pain in the short to medium term. L-PRP could be the treatment of choice due to a more marked effect over time. Nevertheless, further research is needed to better describe the clinical outcome of these formulations. Full article
(This article belongs to the Special Issue Modeling and Simulation of Gel-Based Materials 2.0)
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