摘要
通过分子动力学仿真吡啶氮氧化物（Pyridine N-oxide）水溶液以及LiOH水溶液,计算微波场（2.45GHz,0-3×10-9 V/m）下溶液的径向分布函数、介电常数、极化率等相关介电信息。对浓度相关、场强相关的介电信息进行了分析与对比,得到了两种水溶液在微波作用下不同的介电性质。研究发现在高场强下,极化率相对于介电常数能更好地揭示分子的微观介电信息。LiOH水溶液中第一水化层较第二水化层对介电常数有更大的贡献。
Pyridine N-oxide and LiOH aqueous solutions are investigated hy molecular dynamics meth- od. Dielectric properties of the solutions including radial distribution function （RDF）, dielectric constant and polarizability under microwave field （2.45 GH2, 0-3 × 10^9 V/m） are calculated. Dielectric information of the two aqueous solutions with different concentration and different field strength are compared and the results indicate that the polarizability reveals the microcosmic dielectric information of the solutions better than dielectric constant does, and the dielectric constant of the LiOH aqueous solution is rely more on the first hydration shell than on the second one.
出处
《真空电子技术》
2016年第2期4-7,共4页
Vacuum Electronics
基金
国家自然科学基金青年科学基金项目(批准号:61102044)
关键词
吡啶氮氧化物
LiOH水溶液
微波场
介电特性
Pyridine N-oxide, LiOH aqueous solution, Microwave field, Dielectric properties
