Water-Induced Conformational Transitions and Complex Formation in Concentrated Polyacrylonitrile-Dimethyl Sulfoxide Solutions.
| Title: | Water-Induced Conformational Transitions and Complex Formation in Concentrated Polyacrylonitrile-Dimethyl Sulfoxide Solutions. |
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| Authors: | Skvortsov IY; A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 29 Leninsky Prospect, Moscow 119991, Russia.; Kuzin MS; A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 29 Leninsky Prospect, Moscow 119991, Russia.; Gerasimenko PS; A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 29 Leninsky Prospect, Moscow 119991, Russia.; Legkov SA; A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 29 Leninsky Prospect, Moscow 119991, Russia.; Bondarenko GN; A.V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 29 Leninsky Prospect, Moscow 119991, Russia. |
| Source: | Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2026 Apr 14; Vol. 42 (14), pp. 9910-9920. Date of Electronic Publication: 2026 Mar 30. |
| Publication Type: | Journal Article |
| Language: | English |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 9882736 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5827 (Electronic) Linking ISSN: 07437463 NLM ISO Abbreviation: Langmuir Subsets: MEDLINE; PubMed not MEDLINE |
| Imprint Name(s): | Original Publication: Washington, DC : American Chemical Society, c1985- |
| Abstract: | Understanding the molecular interactions between solvent components and polymer chains is crucial to advancing high-performance fiber technologies. Here, we combine vibrational spectroscopy, quantum-chemical modeling, rheological analysis, and controlled stretching experiments to unravel the fundamental role of dimethyl sulfoxide-water interactions in polyacrylonitrile (PAN) solutions. Infrared spectroscopy reveals distinct signatures of solvent-solvent and solvent-polymer hydrogen bonding, which are rationalized by quantum-chemical calculations and correlated to macroscopic rheological behavior. The molecular picture obtained explains the non-trivial dependence of viscoelasticity and fiber drawability on the water content. Moreover, stretching experiments under different humidity conditions directly demonstrate how nanoscale solvent structuring translates into the tunable mechanical performance of PAN fibers. This integrated approach establishes a clear link among molecular solvation, processability, and final fiber properties, opening new opportunities for the design of advanced precursors for carbon fibers. |
| Entry Date(s): | Date Created: 20260330 Latest Revision: 20260414 |
| Update Code: | 20260414 |
| DOI: | 10.1021/acs.langmuir.5c06810 |
| PMID: | 41911043 |
| Database: | MEDLINE |
Journal Article