ArticleJournal of molecular modeling2020
Material identification for improving the strength of silica/SBR interface using MD simulations.
Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
3 citing papers in PubMed.
- Article
- Article
- Exploring azomethine ylides reactivity with acrolein through cycloaddition reaction and computational antiviral activity assessment against hepatitis C virus.Journal of molecular modeling · 2024Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
Comprehensive molecular dynamics simulations are conducted to identify material modifications which can improve strength and reduce hysteresis losses at the nanointerfaces formed between silica, silane coupling agent (SCA) and styrene-butadiene rubber (SBR), all of which are important ingredients of green tyres. Improving strength and reducing hysteresis losses at such interfaces are expected to reduce rolling resistance (RR), consequently lowering greenhouse emissions. Various modifications considered in this work include a variety of SBR blends, several SCA and surface occupancies of SCA on the silica surface. To tackle a large number of combinations possible and identify modifications which may improve the nature of the interfaces, a hierarchical computational framework is developed. The reduced sample space of such material modifications may be more amenable to comprehensive and computationally or experimentally expensive studies. It was found that some amino-based SCA in combination with certain blends of SBR can improve the interfaces strength and lower hysteresis losses, when compared to the commonly used bis[3-(triethoxysilyl)propyl]tetrasulfide (TESPT), which is a sulphur-based SCA.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.