Effective Cross-link Density: A Robust Metric for Structure-Property Relationship in Complex Polymer Networks Article Swipe
Amirhossein Gooranorimi
,
Seyyed Mohammad Mousavifard
,
Mohsen Mohseni
,
Hossein Yahyaei
,
Hesam Makki
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2024-zzjfs
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.26434/chemrxiv-2024-zzjfs
The structural complexities of polymer networks, i.e., multiple functional groups, diverse connection sites, and various defects, make it difficult to accurately describe their microstructure using theoretical models and traditional metrics such as cross-link density (XLD). This study uses multi-scale molecular dynamics simulations to construct complex network structures such as acrylic-melamine systems and establish correlations between their microstructure and thermo-mechanical properties. By accounting for the elastic contribution of each cross-link point within the network, we modified the XLD and introduced effective XLD (XLDeff). Our findings reveal strong linear correlations between XLDeff and both elastic modulus and Tg, relationships that conventional XLD could not establish. This demonstrates the robustness of XLDeff as a predictive metric for thermo-mechanical properties across diverse cross-linking conversions and prepolymer systems. XLDeff thus serves as a valuable metric for the in-silico design and optimization of thermoset polymers with tailored thermo-mechanical properties.
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- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.26434/chemrxiv-2024-zzjfs
- https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6735bc445a82cea2fa15eeb2/original/effective-cross-link-density-a-robust-metric-for-structure-property-relationship-in-complex-polymer-networks.pdf
- OA Status
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- Related Works
- 10
- OpenAlex ID
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https://openalex.org/W4404448650Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.26434/chemrxiv-2024-zzjfsDigital Object Identifier
- Title
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Effective Cross-link Density: A Robust Metric for Structure-Property Relationship in Complex Polymer NetworksWork title
- Type
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preprintOpenAlex work type
- Language
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enPrimary language
- Publication year
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2024Year of publication
- Publication date
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2024-11-17Full publication date if available
- Authors
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Amirhossein Gooranorimi, Seyyed Mohammad Mousavifard, Mohsen Mohseni, Hossein Yahyaei, Hesam MakkiList of authors in order
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https://doi.org/10.26434/chemrxiv-2024-zzjfsPublisher landing page
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6735bc445a82cea2fa15eeb2/original/effective-cross-link-density-a-robust-metric-for-structure-property-relationship-in-complex-polymer-networks.pdfDirect link to full text PDF
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YesWhether a free full text is available
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goldOpen access status per OpenAlex
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6735bc445a82cea2fa15eeb2/original/effective-cross-link-density-a-robust-metric-for-structure-property-relationship-in-complex-polymer-networks.pdfDirect OA link when available
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Link (geometry), Metric (unit), Property (philosophy), Cross-link, Computer science, Topology (electrical circuits), Mathematics, Polymer, Materials science, Engineering, Computer network, Combinatorics, Philosophy, Operations management, Epistemology, Composite materialTop concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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10Other works algorithmically related by OpenAlex
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| abstract_inverted_index.multiple | 7 |
| abstract_inverted_index.network, | 72 |
| abstract_inverted_index.polymers | 138 |
| abstract_inverted_index.systems. | 122 |
| abstract_inverted_index.tailored | 140 |
| abstract_inverted_index.valuable | 128 |
| abstract_inverted_index.(XLDeff). | 81 |
| abstract_inverted_index.construct | 43 |
| abstract_inverted_index.difficult | 18 |
| abstract_inverted_index.effective | 79 |
| abstract_inverted_index.establish | 52 |
| abstract_inverted_index.in-silico | 132 |
| abstract_inverted_index.molecular | 39 |
| abstract_inverted_index.networks, | 5 |
| abstract_inverted_index.thermoset | 137 |
| abstract_inverted_index.accounting | 61 |
| abstract_inverted_index.accurately | 20 |
| abstract_inverted_index.connection | 11 |
| abstract_inverted_index.cross-link | 32, 68 |
| abstract_inverted_index.establish. | 102 |
| abstract_inverted_index.functional | 8 |
| abstract_inverted_index.introduced | 78 |
| abstract_inverted_index.predictive | 111 |
| abstract_inverted_index.prepolymer | 121 |
| abstract_inverted_index.properties | 115 |
| abstract_inverted_index.robustness | 106 |
| abstract_inverted_index.structural | 1 |
| abstract_inverted_index.structures | 46 |
| abstract_inverted_index.conversions | 119 |
| abstract_inverted_index.multi-scale | 38 |
| abstract_inverted_index.properties. | 59, 142 |
| abstract_inverted_index.simulations | 41 |
| abstract_inverted_index.theoretical | 25 |
| abstract_inverted_index.traditional | 28 |
| abstract_inverted_index.complexities | 2 |
| abstract_inverted_index.contribution | 65 |
| abstract_inverted_index.conventional | 98 |
| abstract_inverted_index.correlations | 53, 87 |
| abstract_inverted_index.demonstrates | 104 |
| abstract_inverted_index.optimization | 135 |
| abstract_inverted_index.cross-linking | 118 |
| abstract_inverted_index.relationships | 96 |
| abstract_inverted_index.microstructure | 23, 56 |
| abstract_inverted_index.acrylic-melamine | 49 |
| abstract_inverted_index.thermo-mechanical | 58, 114, 141 |
| cited_by_percentile_year | |
| countries_distinct_count | 2 |
| institutions_distinct_count | 5 |
| citation_normalized_percentile.value | 0.29618243 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |