Characteristic Time and Length Scales in Melts of Kremer–Grest Bead–Spring Polymers with Wormlike Bending Stiffness

التفاصيل البيبلوغرافية
العنوان: Characteristic Time and Length Scales in Melts of Kremer–Grest Bead–Spring Polymers with Wormlike Bending Stiffness
المؤلفون: Carsten Svaneborg, Ralf Everaers
المصدر: Svaneborg, C & Everaers, R 2020, ' Characteristic Time and Length Scales in Melts of Kremer-Grest Bead-Spring Polymers with Wormlike Bending Stiffness ', Macromolecules, vol. 53, no. 6, pp. 1917-1941 . https://doi.org/10.1021/acs.macromol.9b02437
بيانات النشر: American Chemical Society (ACS), 2020.
سنة النشر: 2020
مصطلحات موضوعية: Materials science, Polymers and Plastics, FOS: Physical sciences, 02 engineering and technology, Condensed Matter - Soft Condensed Matter, 010402 general chemistry, 01 natural sciences, Inorganic Chemistry, Bead (woodworking), Chain (algebraic topology), Materials Chemistry, medicine, Composite material, chemistry.chemical_classification, Organic Chemistry, Stiffness, Polymer, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Condensed Matter::Soft Condensed Matter, chemistry, Spring (device), Bending stiffness, Soft Condensed Matter (cond-mat.soft), medicine.symptom, 0210 nano-technology
الوصف: The Kremer-Grest (KG) model is a standard for studying generic polymer properties. Here we have equilibrated KG melts up to and beyond $200$ entanglements per chain for varying chain stiffness. We present methods for estimating the Kuhn length corrected for incompressibility effects, for estimating the entanglement length corrected for chain stiffness, for estimating bead frictions and Kuhn times taking into account entanglement effects. These are the key parameters for enabling quantitative, accurate, and parameter free comparisons between theory, experiment and simulations of KG polymer models with varying stiffness. We demonstrate this for the mean-square monomer displacements in moderately to highly entangled melts as well as for the shear relaxation modulus for unentangled melts, which are found to be in excellent agreement with the predictions from standard theories of polymer dynamics.
Complete rewrite compared to previous version
تدمد: 1520-5835
0024-9297
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5aa0ab465a8d39468b932ee277ea824b
https://doi.org/10.1021/acs.macromol.9b02437
حقوق: OPEN
رقم الأكسشن: edsair.doi.dedup.....5aa0ab465a8d39468b932ee277ea824b
قاعدة البيانات: OpenAIRE