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Polymers
Special Issues
Mathematical Modeling and Computer Simulation of Polymer Systems
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Mathematical Modeling and Computer Simulation of Polymer Systems

A special issue of Polymers (ISSN 2073-4360). This special issue belongs to the section "Polymer Physics and Theory".

Deadline for manuscript submissions: closed (15 May 2022) | Viewed by 7213

Special Issue Editor

Prof. Dr. Philip K. Chan

E-Mail Website
Guest Editor
Department of Chemical Engineering, Ryerson University, 350 Victoria Street, Toronto, ON M5B 2K3, Canada
Interests: computer simulation in polymer systems; computer simulation of liquid crystalline materials; computer simulation of complex fluids

Special Issue Information

Dear Colleagues, 

Mathematical modelling and computer simulation are used increasingly to study polymeric materials due to increasing computational resources. Current personal computers with Intel i7 processors provide adequate computational power for some polymeric studies. However, for other more complex studies such as transient three-dimensional Monte Carlos or finite element simulations, supercomputers are necessary.

The scope of this Special Issue of Polymers includes all mathematical modelling and computer simulation studies in polymer systems, which includes polymerization, polymer processing, functional polymers, biopolymers, and micro/nanopolymers.

Prof. Dr. Philip K. Chan
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. Polymers is an international peer-reviewed open access semimonthly 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 2700 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

  • Mathematical modeling
  • Computer simulation
  • Polymerization
  • Polymer processing
  • Functional polymers
  • Biopolymers
  • Micro/nanopolymers

Published Papers (3 papers)

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Research

15 pages, 2483 KiB  
Article
Faraday Instability in Viscous Fluids Covered with Elastic Polymer Films
by Junxiu Liu, Wenqiang Song, Gan Ma and Kai Li
Polymers 2022, 14(12), 2334; https://doi.org/10.3390/polym14122334 - 09 Jun 2022
Cited by 1 | Viewed by 1974
Abstract
Faraday instability has great application value in the fields of controlling polymer processing, micromolding colloidal lattices on structured suspensions, organizing particle layers, and conducting cell culture. To regulate Faraday instability, in this article, we attempt to introduce an elastic polymer film covering the [...] Read more.
Faraday instability has great application value in the fields of controlling polymer processing, micromolding colloidal lattices on structured suspensions, organizing particle layers, and conducting cell culture. To regulate Faraday instability, in this article, we attempt to introduce an elastic polymer film covering the surface of a viscous fluid layer and theoretically study the behaviors of the Faraday instability phenomenon and the effect of the elastic polymer film. Based on hydrodynamic theory, the Floquet theory is utilized to formulate its stability criterion, and the critical acceleration amplitude and critical wave number are calculated numerically. The results show that the critical acceleration amplitude for Faraday instability increases with three increasing bending stiffness of the elastic polymer film, and the critical wave number decreases with increasing bending stiffness. In addition, surface tension and viscosity also have important effects on the critical acceleration amplitude and critical wave number. The strategy of controlling Faraday instability by covering an elastic polymer film proposed in this paper has great application potential in new photonic devices, metamaterials, alternative energy, biology, and other fields. Full article
(This article belongs to the Special Issue Mathematical Modeling and Computer Simulation of Polymer Systems)
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11 pages, 1576 KiB  
Article
Arithmetic Relationship between Fracture Load and Material Thickness of Resin-Based CAD-CAM Restorative Materials
by Tobias Graf, Josef Schweiger, Jan-Frederik Güth, Thomas Sciuk, Oliver Schubert and Kurt-Jürgen Erdelt
Polymers 2022, 14(1), 58; https://doi.org/10.3390/polym14010058 - 24 Dec 2021
Cited by 4 | Viewed by 1941
Abstract
Data on the long-term behavior of computer-aided designed/computer-aided manufactured (CAD-CAM) resin-based composites are sparse. To achieve higher predictability on the mechanical behavior of these materials, the aim of the study was to establish a mathematical relationship between the material thickness of resin-based materials [...] Read more.
Data on the long-term behavior of computer-aided designed/computer-aided manufactured (CAD-CAM) resin-based composites are sparse. To achieve higher predictability on the mechanical behavior of these materials, the aim of the study was to establish a mathematical relationship between the material thickness of resin-based materials and their fracture load. The tested materials were Lava Ultimate (LU), Cerasmart (GC), Enamic (EN), and Telio CAD (TC). For this purpose, 60 specimens were prepared, each with five different material thicknesses between 0.4 mm and 1.6 mm (N = 60, n = 12). The fracture load of all specimens was determined using the biaxial flexural strength test (DIN EN ISO 6872). Regression curves were fitted to the results and their coefficient of determination (R2) was computed. Cubic regression curves showed the best R2 approximation (LU R2 = 0.947, GC R2 = 0.971, VE R2 = 0.981, TC R2 = 0.971) to the fracture load values. These findings imply that the fracture load of all tested resin-based materials has a cubic relationship to material thickness. By means of a cubic equation and material-specific fracture load coefficients, the fracture load can be calculated when material thickness is given. The approach enables a better predictability for resin-based restorations for the individual patient. Hence, the methodology might be reasonably applied to other restorative materials. Full article
(This article belongs to the Special Issue Mathematical Modeling and Computer Simulation of Polymer Systems)
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18 pages, 38540 KiB  
Article
Modelling Stretch Blow Moulding of Poly (l-lactic acid) for the Manufacture of Bioresorbable Vascular Scaffold
by Huidong Wei, Shiyong Yan and Gary Menary
Polymers 2021, 13(6), 967; https://doi.org/10.3390/polym13060967 - 22 Mar 2021
Cited by 2 | Viewed by 2487
Abstract
Stretch blow moulding (SBM) has been employed to manufacture bioresorbable vascular scaffold (BVS) from poly (l-lactic acid) (PLLA), whilst an experience-based method is used to develop the suitable processing conditions by trial-and-error. FEA modelling can be used to predict the forming process by [...] Read more.
Stretch blow moulding (SBM) has been employed to manufacture bioresorbable vascular scaffold (BVS) from poly (l-lactic acid) (PLLA), whilst an experience-based method is used to develop the suitable processing conditions by trial-and-error. FEA modelling can be used to predict the forming process by the scientific understanding on the mechanical behaviour of PLLA materials above the glass transition temperature (Tg). The applicability of a constitutive model, the ‘glass-rubber’ (GR) model with material parameters from biaxial stretch was examined on PLLA sheets replicating the biaxial strain history of PLLA tubes during stretch blow moulding. The different stress–strain relationship of tubes and sheets under equivalent deformation suggested the need of re-calibration of the GR model for tubes. A FEA model was developed for PLLA tubes under different operation conditions, incorporating a virtual cap and rod to capture the suppression of axial stretch. The reliability of the FEA modelling on tube blowing was validated by comparing the shape evolution, strain history and stress–strain relationship from modelling to the results from the free stretch blow test. Full article
(This article belongs to the Special Issue Mathematical Modeling and Computer Simulation of Polymer Systems)
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