MOLECULAR MODELING OF CHITOSAN / POLYETHYLENE OXIDE POLYMER BLENDS
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F14%3A86092226" target="_blank" >RIV/61989100:27740/14:86092226 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27640/14:86092226
Result on the web
<a href="http://konsys-t.tanger.cz/files/proceedings/14/reports/1948.pdf" target="_blank" >http://konsys-t.tanger.cz/files/proceedings/14/reports/1948.pdf</a>
DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
MOLECULAR MODELING OF CHITOSAN / POLYETHYLENE OXIDE POLYMER BLENDS
Original language description
The aim of this contribution is to give closer information about structure of chitosan/polyethylene oxide polymer blends in preparatory solution for electrospinning. Special attention has been paid to the interaction between both polymers. Molecular modeling using ab-initio force field in Accelrys Materials Studio modeling environment was performed in this study. Compositions of model systems were derived from the compositions of real preparatory solutions which are used as input for electrospinning process. Molecular modeling on the basis of energy minimization and molecular dynamics revealed that deacetylation as well as deprotonation of chitosan amino groups play a key role for stability of resulted polymer blend. Three following parameters were used to characterize the optimized models: interaction energies between investigated polymers, structure characteristics and miscibility factor as described by Flory-Huggins theory.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
CD - Macromolecular chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED1.1.00%2F02.0070" target="_blank" >ED1.1.00/02.0070: IT4Innovations Centre of Excellence</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
NANOCON 2013 : 5th international conference : October 16th-18th 2013, hotel Voroněž I, Brno, Czech Republic, EU : conference proceedings [CD-ROM]
ISBN
978-80-87294-47-5
ISSN
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e-ISSN
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Number of pages
5
Pages from-to
275-279
Publisher name
Tanger
Place of publication
Ostrava
Event location
Brno
Event date
Oct 16, 2013
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
000352070900048