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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Application of the ATR-IR Spectroscopic Technique to the Characterization of Hydrates Formed by CO2, CO_2/H_2 and CO_2/H_2/C_3H_8
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Application of the ATR-IR Spectroscopic Technique to the Characterization of Hydrates Formed by CO2, CO_2/H_2 and CO_2/H_2/C_3H_8

机译：ATR-IR光谱技术在表征CO2，CO_2 / H_2和CO_2 / H_2 / C_3H_8形成的水合物中的应用

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摘要

The spectroscopic investigation of CO_2-containing clathrate hydrates is complicated because techniques such as Raman spectroscopy cannot distinguish cage populations. ~(13)C NMR spectroscopy also has some complications as the isotropic chemical shifts do not change for the different CO2 cage populations. It is known that CO2 molecules in the different phases relevant to hydrates give unique infrared vibrational frequencies; however, so far only thin cryogenic films prepared at low pressure have been studied with IR transmission spectroscopy. In this study, hydrates from CO2, CO_2/H_2, and CO_2/H_2/C_3H_8 mixtures were synthesized in a high-pressure attenuated total reflection (ATR) cell and in situ infrared spectroscopy was performed at —50 °C to distinguish the vibrational frequencies from CO2 in small and large cages in the resultant hydrate and in the other CO_2-containing phases. Quantitative estimates of cage occupancies and hydration numbers are provided as based on the analysis of the IR spectra and knowledge of hydrate gas composition from gas chromatography.
机译：含CO_2的笼形水合物的光谱研究很复杂，因为拉曼光谱等技术无法区分笼子种群。 〜（13）C NMR光谱也有一些复杂性，因为各向同性的CO2笼种群的各向同性化学位移不会改变。众所周知，与水合物有关的不同相的CO2分子具有独特的红外振动频率。然而，到目前为止，仅通过红外透射光谱研究了在低压下制备的低温低温薄膜。在这项研究中，在高压衰减全反射（ATR）池中合成了CO2，CO_2 / H_2和CO_2 / H_2 / C_3H_8混合物中的水合物，并在-50°C下进行了原位红外光谱分析以区分振动频率在小笼和大笼子中从CO2生成水合物和其他含CO_2相。根据红外光谱分析和气相色谱中对水合物气体组成的了解，提供了笼笼占用率和水合数的定量估计值。

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