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  Stretching of single polymer strands: a first-principles theory

Kreuzer, H., & Grunze, M. (2001). Stretching of single polymer strands: a first-principles theory. EPL, 55(5), 640-646. doi:10.1209/epl/i2001-00464-8.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0001-BCBA-A Version Permalink: https://hdl.handle.net/21.11116/0000-0001-BCBB-9
Genre: Journal Article

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EurophysLett_55_2001_640.pdf (Any fulltext), 221KB
 
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 Creators:
Kreuzer, H.J., Author
Grunze, M.1, Author           
Affiliations:
1Cellular Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_2364731              

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 Abstract: A first-principles theory based on 1) ab initio quantum-mechanical calculations of the potential energy surfaces of the polymer conformers, and 2) the proper statistical mechanics, allows the parameter-free calculation of the thermodynamic properties of single polymer strands. Applied to poly (ethylene glycol) molecules, we achieve quantitative agreement with experimental data, for both hexadecane and water solvents.

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Language(s): eng - English
 Dates: 2001-03-052001-06-052001
 Publication Status: Issued
 Pages: 7
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1209/epl/i2001-00464-8
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Title: EPL
  Other : EPL: A Letters Journal Exploring the Frontiers of Physics
Source Genre: Journal
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Publ. Info: Les-Ulis : EDP Science
Pages: - Volume / Issue: 55 (5) Sequence Number: - Start / End Page: 640 - 646 Identifier: Other: 0295-5075
CoNE: https://pure.mpg.de/cone/journals/resource/0295-5075