• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Physicochemical Properties of Hydrated Complexes in the Earth's Atmosphere
【24h】

Physicochemical Properties of Hydrated Complexes in the Earth's Atmosphere

机译：地球大气中水合复合物的理化性质

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Theoretical and experimental studies have recently attempted to investigate the role of molecular complexes in the Earth's atmosphere. The extent to which these weakly bound molecular species affect atmospheric chemistry and the climate is ultimately determined by their abundance. In this paper, we discuss the standard statistical procedures that are used in calculating equilibrium constants and dimer abundances. We also highlight the competition that arises between energy and entropy when complexation is considered at atmospherically relevant temperatures. For illustration, the abundance of select hydrated complexes, namely, O_2-H_2O, O_3-H_2O, H_2O-H_2O, and HNO_3-H_2O, are estimated. Using the results of our calculations, we evaluate and compare the physicochemical properties of these hydrated complexes and discuss how monomer concentrations, temperature, and dimer binding energies influence their calculated atmospheric abundances. We further examine the shortcomings of our estimates and include a short analysis outlining the inherent sensitivity of our computational method to discrepancies that exist in the available database for hydrated complexes.
机译：最近的理论和实验研究试图研究分子复合物在地球大气中的作用。这些弱结合的分子种类影响大气化学和气候的程度最终取决于它们的丰度。在本文中，我们讨论了用于计算平衡常数和二聚体丰度的标准统计程序。我们还强调了在与大气有关的温度下考虑络合时能量与熵之间的竞争。为了说明，估计了选择的水合配合物的丰度，即O_2-H_2O，O_3-H_2O，H_2O-H_2O和HNO_3-H_2O。使用我们的计算结果，我们评估和比较了这些水合配合物的理化性质，并讨论了单体浓度，温度和二聚体结合能如何影响其计算出的大气丰度。我们进一步检查了估计值的缺点，并进行了简短的分析，概述了我们的计算方法对水合配合物数据库中存在的差异的固有敏感性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号