通过脉冲场梯度核磁共振和热力学建模研究的自扩散的明显异常温度依赖性
Sujeet Dutta1, Andrei Nossov1, Anne Galarneau2
1Sorbonne Université, CNRS, Laboratoire de Chimie de la Matière Condensée de Paris, LCMCP, 75252 Paris, France.
层级的热石表现出异常的环素扩散与温度. 这种非Arrhenius的行为,与n-octane不同,是通过改变微孔和二级烯酸纳米晶体网络中的吸附物种群来解释的.
科学领域:
- 材料科学 材料科学 材料科学
- 化学工程是化学工程的重要组成部分.
- 物理化学 物理化学
背景情况:
- 层次的热质石结合了微孔性和宏性网络.
- 了解这些复杂结构中的客分子扩散至关重要.
研究的目的:
- 调查循环和n-octane在等级式热石单体中的自我扩散性.
- 解释观察到的循环素扩散的非阿雷尼乌斯温度依赖性.
主要方法:
- 脉冲场梯度核磁共振 (PFG-NMR) 用于测量自我扩散性.
- 用热力学建模来分析吸附物种群动态.
主要成果:
- 环素表现出非Arrhenius扩散行为,随着温度的增加而减少.
- 这种异常行为并没有观察到纯微的热石中的n-octane或cyclohexane.
- 吸附物种群在微孔和二次多孔性之间转移显著影响了有效的扩散性.
结论:
- 环素的异常扩散是由于吸附物分布的温度依赖变化而合理化.
- 结合进化的吸附物分数的双相扩散模型解释了观察到的复杂行为.
- 阐明了在等级性热岩中控制扩散的物理化学因素.
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