Microwave heating and non-thermal effects of sodium chloride aqueous solution

The dielectric thermal and non-thermal properties of sodium chloride aqueous solution under the microwave region have been estimated. The dielectric properties, hydrogen bonding, transport properties, energy distribution and local structure have been evaluated by classical molecular dynamics method. In the process of microwave energy distribution, the direct coupling of rotational motion, vibration and redirection is revealed. Microwave energy is converted into kinetic energy and interaction energy between two molecules. A mechanism for exploring the effects of microwaves on the non-thermal effects of brine systems over a longer simulation time and a wider microwave range is proposed. The increase in field intensity is usually accompanied by local damage to the water structure near the hydrated ions. More specifically, above the field threshold, the residence time of water molecules near the ions significantly decreases.
Highlights
Microwave energy is transferred to the kinetic energy and the energy between the molecules.
The increase in field intensity is usually accompanied by local damage to the water structure near the hydrated ions.
The larger electric field strength amplifies the effect of frequency.
The residence time of water molecules near the ions significantly decreases.

Microwave energy is transferred to the kinetic energy and the energy between the molecules.
The increase in field intensity is usually accompanied by local damage to the water structure near the hydrated ions.
The larger electric field strength amplifies the effect of frequency.
The residence time of water molecules near the ions significantly decreases.

本研究针对微波频段内氯化钠水溶液的介电热特性与非热特性开展了估算。本研究采用经典分子动力学（classical molecular dynamics）方法，对该体系的介电特性、氢键作用、输运特性、能量分布及局域结构进行了评估。在微波能量传递过程中，本研究揭示了分子转动、振动与重定向的直接耦合效应。微波能量可转化为分子动能与双分子间的相互作用能。本研究提出了一种可在更长模拟时长与更宽微波频段内，探究微波对盐水体系非热效应作用机制的研究范式。场强的提升通常会伴随水合离子附近水分子结构的局域破坏。更具体地，当场强超过阈值时，离子附近水分子的驻留时间会显著缩短。

### 研究亮点
1. 微波能量可转化为分子动能与分子间相互作用能。
2. 场强的提升通常会伴随水合离子附近水分子结构的局域破坏。
3. 更大的电场强度会放大频率的影响效应。
4. 离子附近水分子的驻留时间会显著缩短。

微波能量可转化为分子动能与分子间相互作用能。
场强的提升通常会伴随水合离子附近水分子结构的局域破坏。
更大的电场强度会放大频率的影响效应。
离子附近水分子的驻留时间会显著缩短。