Mobility of polymer melts in a regular array of carbon nanotubes

Simulation of the diffusion in polymer melts in an array of obstacles (here: carbon nanotubes) using the Roberto method (HPFZ-MD + slip-springs).

Data and Resources

Additional Info

Field Value
Publication(s)
Publication 1
Title of related publication
Mobility of polymer melts in a regular array of carbon nanotubes
Year of related publication
2022
DOI of related publication (not DOI of data resources)
10.1021/acs.jctc.1c01281
Funding DFG Project No. 233630050-TRR146
Subproject Project A8: Roberto – Improved dynamics in hybrid particle-field molecular dynamics simulations of polymers
Cooperation partner(s) Technical University of Darmstadt
Responsible Person's Name (PI) Prof. Dr. Florian Müller-Plathe
Responsible Person's Email for further data requests f.mueller-plathe@theo.chemie.tu-darmstadt.de
Responsible Person's Affiliation Institute for Physical Chemistry, Technical University of Darmstadt, Germany