Computer Simulation of Anisotropic Polymeric Materials Using Polymerization-Induced Phase Separation under Combined Temperature and Concentration Gradients Article Swipe
Shima Ghaffari
,
Philip K. Chan
,
Mehrab Mehrvar
·
YOU?
·
· 2019
· Open Access
·
· DOI: https://doi.org/10.3390/polym11061076
YOU?
·
· 2019
· Open Access
·
· DOI: https://doi.org/10.3390/polym11061076
In this study, the self-condensation polymerization of a tri-functional monomer in a monomer-solvent mixture and the phase separation of the system were simultaneously modeled and simulated. Nonlinear Cahn–Hilliard and Flory–Huggins free energy theories incorporated with the kinetics of the polymerization reaction were utilized to develop the model. Linear temperature and concentration gradients singly and in combination were applied to the system. Eight cases which faced different ranges of initial concentration and/or temperature gradients in different directions, were studied. Various anisotropic structural morphologies were achieved. The numerical results were in good agreement with published data. The size analysis and structural characterization of the phase-separated system were also carried out using digital imaging software. The results showed that the phase separation occurred earlier in the section with a higher initial concentration and/or temperature, and, at a given time, the average equivalent diameter of the droplets was larger in this region. While smaller droplets formed later in the lower concentration/temperature regions, at the higher concentration/temperature side, the droplets went through phase separation longer, allowing them to reach the late stage of the phase separation where particles coarsened. In the intermediate stage of phase separation, was found proportional to t * α , where α was in the range between 1 3 and 1 2 for the cases studied and was consistent with published results.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3390/polym11061076
- https://www.mdpi.com/2073-4360/11/6/1076/pdf?version=1561519046
- OA Status
- gold
- Cited By
- 15
- References
- 44
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2951107222
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https://openalex.org/W2951107222Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.3390/polym11061076Digital Object Identifier
- Title
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Computer Simulation of Anisotropic Polymeric Materials Using Polymerization-Induced Phase Separation under Combined Temperature and Concentration GradientsWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2019Year of publication
- Publication date
-
2019-06-21Full publication date if available
- Authors
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Shima Ghaffari, Philip K. Chan, Mehrab MehrvarList of authors in order
- Landing page
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https://doi.org/10.3390/polym11061076Publisher landing page
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https://www.mdpi.com/2073-4360/11/6/1076/pdf?version=1561519046Direct link to full text PDF
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YesWhether a free full text is available
- OA status
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goldOpen access status per OpenAlex
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https://www.mdpi.com/2073-4360/11/6/1076/pdf?version=1561519046Direct OA link when available
- Concepts
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Polymerization, Monomer, Materials science, Phase (matter), Condensation, Anisotropy, Thermodynamics, Polymer chemistry, Analytical Chemistry (journal), Chemical engineering, Chemistry, Polymer, Chromatography, Composite material, Optics, Organic chemistry, Physics, EngineeringTop concepts (fields/topics) attached by OpenAlex
- Cited by
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15Total citation count in OpenAlex
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2025: 1, 2024: 2, 2023: 6, 2022: 2, 2021: 3Per-year citation counts (last 5 years)
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44Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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