Abstract

Heating of a multiply protonated poly(ethylene oxide) chain in an intense high-frequency electric field in a vacuum is studied using molecular dynamics simulations. The rate of absorption of the field energy by the chain is determined at the field frequencies from 0.5 to 150 GHz. The absorption spectrum depends on the number of attached protons n, and also on the temperature of the chain. At low n and high temperatures, the spectrum consists of several distinct peaks with the most intense peak at a frequency of about 10 GHz. When n is large, the peaks are less pronounced and the energy absorption rate reaches a maximum at the lowest studied frequency.The effect of n on the energy absorption rate depends on the field frequency. While at low and high frequencies the energy absorption rate increases almost in proportion to n, near the main absorption peak it decreases.This indicates that there are two different mechanisms of the energy absorption. Firstly, the chain absorbs energy during resonant vibrations that occur at several frequencies. Secondly, the chain absorbs energy through a process that occurs over a wide frequency range and becomes more intense with decreasing frequency.

中文翻译：

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在真空中高频加热质子化的聚环氧乙烷链

摘要

使用分子动力学模拟研究了在真空中在强高频电场中多质子化聚环氧乙烷链的加热。链吸收场能量的速率是在0.5至150 GHz的场频下确定的。吸收光谱取决于所连接的质子的数量n，还取决于链的温度。在低Ñ和高温下，频谱由与最强峰的几个不同的峰在大约10 GHz的频率。当Ñ大时，峰值不太明显和能量吸收率到达最低研究frequency.The效果最大Ñ能量吸收率的高低取决于磁场频率。在低频和高频时，能量吸收率几乎与n成正比，但在主吸收峰附近却减小，这表明存在两种不同的能量吸收机理。首先，链条在几个频率的共振振动中吸收能量。其次，链条通过一个在很宽的频率范围内发生的过程吸收能量，并随着频率的降低而变得更加强烈。