Wang Hsiu-Wen, Fanelli Victor R, Reiche Helmut M, Larson Eric, Taylor Mark A, Xu Hongwu, Zhu Jinlong, Siewenie Joan, Page Katharine
Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Earth and Environmental Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Rev Sci Instrum. 2014 Dec;85(12):125116. doi: 10.1063/1.4902838.
This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO2 measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H2 and natural gas uptake/storage.
本文介绍了一种新型的局部结构兼容气/液池装置，用于在洛斯阿拉莫斯国家实验室卢扬中子散射中心的中子粉末衍射仪中，在高压和可变温度下探测无序材料。这种新的样品环境提供了样品罐厚度和罐材料类型的选择。利用有限元建模确定了在15K时的最大允许工作压力为414MPa，在600K时为121MPa。对于校准标准（硅粉）以及超临界和亚临界二氧化碳测量，已经证明了高质量的原子对分布函数数据提取和建模。新的样品环境专门针对地质二氧化碳封存中涉及的局部原子结构的实验研究设计，但同样适用于各种能源应用，包括流体在纳米/介孔固体上的吸附、笼形水合物的形成、催化、碳捕获以及氢气和天然气的吸收/储存。
