Pasquier V, Levitz P, Tinet D, Delville A
CRMD, CNRS, Orléans, France.
Magn Reson Imaging. 1996;14(7-8):971-3. doi: 10.1016/s0730-725x(96)00198-1.
We use 129Xe NMR to probe the diffusion of xenon gas in the porous network of Vycor glass, by monitoring its relaxation properties. When the mean free path of the diffusing gas is larger than the pore size (Knudsen conditions), both 129Xe chemical shifts and relaxation rates are sensitive to the confinement of xenon gas within a porous solid. The influence of both temperature and xenon pressure are recorded on the 129Xe chemical shifts and relaxation rates, in order to characterise the xenon/Vycor interactions. Monte Carlo (MC) and Molecular Dynamics (MD) simulations, using a numerical model of Vycor, are required to interpret the relaxation properties of xenon. MD simulations clearly establish the occurrence of confined diffusion of xenon within Vycor, related to the geometry of this porous media. This work shows the potentiality of NMR relaxation to obtain dynamical information on the diffusion within porous media.
我们通过监测氙气的弛豫特性,利用¹²⁹Xe核磁共振(NMR)来探测氙气在Vycor玻璃多孔网络中的扩散。当扩散气体的平均自由程大于孔径(克努森条件)时,¹²⁹Xe化学位移和弛豫速率都对氙气在多孔固体中的受限情况敏感。记录温度和氙气压力对¹²⁹Xe化学位移和弛豫速率的影响,以表征氙气与Vycor的相互作用。为了解释氙气的弛豫特性,需要使用Vycor的数值模型进行蒙特卡罗(MC)和分子动力学(MD)模拟。MD模拟清楚地证实了氙气在Vycor内部发生受限扩散,这与这种多孔介质的几何结构有关。这项工作展示了NMR弛豫在获取多孔介质内扩散动力学信息方面的潜力。