University of Primorska University Library (UPUK)
-
Advanced molecular dynamics model for investigating biological-origin microfibril structures [Elektronski vir]Ponnuchamy, Veerapandian ; Sandak, Anna Malgorzata ; Sandak, Jakub MichalUnderstanding the atomic-scale structure of wood microfibrils is essential for establishing fundamental properties in various wood-based research aspects, including moisture impact, wood ... modification, and pretreatment. In this study, we employed molecular dynamics simulations to investigate the arrangement of wood polymers, including cellulose, hemicellulose, and lignin, with a primary focus on the composition of softwood, specifically Norway Spruce wood. We assessed the accuracy of our molecular dynamics model by comparing it with available experimental data, such as density, Young’s modulus, and glass transition temperature, which ensures the reliability of our approach. A key aspect of our study involved modeling the active sorption site for water interaction with wood polymers. Our findings revealed that the interaction between water and hemicellulose, particularly within the hemicellulose–cellulose interphase, was the most prominent binding site. This observation aligns with prior research in this field, further strengthening the validity of our results.Source: ACS omega [Elektronski vir]. - ISSN 2470-1343 (Vol. 9, iss. 24, 2024, str. 25646-25654)Type of material - e-article ; adult, seriousPublish date - 2024Language - englishCOBISS.SI-ID - 199659267
Author
Ponnuchamy, Veerapandian |
Sandak, Anna Malgorzata |
Sandak, Jakub Michal
Topics
molecular dynamics |
microfibril |
wood |
molekularna dinamika |
mikrofibril |
les
Shelf entry
Permalink
- URL:
Impact factor
Access to the JCR database is permitted only to users from Slovenia. Your current IP address is not on the list of IP addresses with access permission, and authentication with the relevant AAI accout is required.
Year | Impact factor | Edition | Category | Classification | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Select the library membership card:
If the library membership card is not in the list,
add a new one.
DRS, in which the journal is indexed
Database name | Field | Year |
---|
Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
---|---|
Ponnuchamy, Veerapandian | 53249 |
Sandak, Anna Malgorzata | 50366 |
Sandak, Jakub Michal | 50461 |
Source: Personal bibliographies
and: SICRIS
Select pickup location:
Material pickup by post
Delivery address:
Address is missing from the member's data.
The address retrieval service is currently unavailable, please try again.
By clicking the "OK" button, you will confirm the pickup location selected above and complete the reservation process.
By clicking the "OK" button, you will confirm the above pickup location and delivery address, and complete the reservation process.
By clicking the "OK" button, you will confirm the address selected above and complete the reservation process.
Notification
Automatic login and reservation service currently not available. You can reserve the material on the Biblos portal or try again here later.
Subject headings in COBISS General List of Subject Headings
Select pickup location
The material from the parent unit is free. If the material is delivered to the pickup location from another unit, the library may charge you for this service.
Pickup location | Material status | Reservation |
---|
Reservation in progress
Please wait a moment.
Reservation was successful.
Reservation failed.
Reservation...
Membership card:
Pickup location: