Saidi Meryem, Bihl François, Gimello Olinda, Louis Benoit, Roger Anne-Cécile, Trens Philippe, Salles Fabrice
ICGM, Université de Montpellier, CNRS, ENSCM, 34090 Montpellier, France.
ICPEES, UMR 7515, Université de Strasbourg, CNRS, 25 Rue Becquerel, 67087 Strasbourg, France.
Nanomaterials (Basel). 2024 Jan 18;14(2):213. doi: 10.3390/nano14020213.
Adsorption isotherms of pure vapors and vapor mixtures of water, methanol, and cyclohexane were studied using a synthesized 13X zeolite (FAU topology), by means of a DVS gravimetric vapor analyzer. These results were validated by GCMC calculations. The surface chemistry of the adsorbent was characterized by the thermodesorption of ammonia, and its textural properties were studied using nitrogen physisorption. The 13X zeolite was found to be strongly acidic (BrØnsted acid sites, Si/Al = 1.3) and its specific surface area around 1100 m·g. Water was found to be able to diffuse within both the supercages and the sodalite cavities of the FAU structure, whereas methanol and cyclohexane were confined in the supercages only. The water/methanol sorption selectivity of the 13X zeolite was demonstrated by co-adsorption measurements. The composition of the water/methanol adsorbed phase could be calculated by assuming IAST hypotheses. This model failed in the case of the water/cyclohexane co-adsorption system, which is in line with the non-miscibility of the components in the adsorbed state. The sorption isotherms could be successfully simulated, confirming the robustness of the forcefields used. The 13X zeolite confirmed its a priori expected hydrophilic nature, which is useful for the selective adsorption of water in a methanol-water vapor mixture.
使用合成的13X沸石(FAU拓扑结构),借助DVS重量法蒸汽分析仪研究了水、甲醇和环己烷的纯蒸汽及蒸汽混合物的吸附等温线。这些结果通过巨正则蒙特卡罗(GCMC)计算得到验证。通过氨的热脱附对吸附剂的表面化学性质进行了表征,并使用氮气物理吸附研究了其结构性质。发现13X沸石具有强酸性(布朗斯特酸位点,硅铝比=1.3),其比表面积约为1100平方米/克。发现水能够在FAU结构的超笼和方钠石笼中扩散,而甲醇和环己烷仅局限于超笼中。通过共吸附测量证明了13X沸石对水/甲醇的吸附选择性。水/甲醇吸附相的组成可以通过假设理想吸附溶液理论(IAST)假设计算得出。该模型在水/环己烷共吸附体系中不适用,这与吸附态下各组分的不混溶性一致。吸附等温线能够成功模拟,证实了所用力场的稳健性。13X沸石证实了其先验预期的亲水性,这对于在甲醇-水蒸汽混合物中选择性吸附水很有用。
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