Premium
Resonance Effects in High‐Frequency Heating of Isolated Protonated Poly(ethylene oxide) Chains in a Vacuum
Author(s) -
Dubrovskii Sergey A.,
Balabaev Nikolay K.
Publication year - 2019
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201800056
Subject(s) - absorption (acoustics) , chain (unit) , chemistry , absorption spectroscopy , low frequency , ethylene oxide , molecular physics , field (mathematics) , protonation , resonance (particle physics) , range (aeronautics) , rotation (mathematics) , materials science , analytical chemistry (journal) , atomic physics , optics , physics , polymer , organic chemistry , ion , mathematics , geometry , astronomy , pure mathematics , copolymer , composite material
Heating of isolated protonated poly(ethylene oxide) (PEO) chains in an intense high‐frequency electric field in a vacuum is studied using molecular dynamics (MD) simulations. The chain heats up, absorbing the energy of the field due to internal friction. The absorption coefficient depends on the frequency of the field, and also on the length and temperature of the chain. At high temperatures, the absorption spectrum has two distinct peaks in the frequency range from 1 to 100 GHz. Near these peaks and at higher frequencies, the chain rotates as a single whole and takes stretched conformations. The frequency of rotation is determined by the length and degree of stretching of the chain. This frequency and the frequencies of the absorption peaks are inversely proportional to the chain length. The observed behavior is explained by considering the chain as a damped spatial oscillator in which both the linear (conventional) and nonlinear resonances arise.