Comprehensive Thermodynamic Study of the Calcium Sulfate–Water Vapor System. Part 2: Physical Modeling of Adsorption Phenomena
Comprehensive Thermodynamic Study of the Calcium Sulfate–Water Vapor System. Part 2: Physical Modeling of Adsorption Phenomena
复制标题
硫酸钙-水蒸气系统的综合热力学研究第 2 部分：吸附现象的物理模型。
DOI：
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发表时间：
2019
影响因子：
4.2
通讯作者：
S. Quiligotti
中科院分区：
文献类型：
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作者：
João G. D. Preturlan;L. Favergeon;L. Vieille;S. Quiligotti
采用严格的热力学模拟方法研究了两种硫酸钙化合物AIII-CaSO 4和CaSO 4·0.5H2O对水的吸附现象。在这项工作的第1部分（Ind. Eng. Chem. Res.，2019年，DOI：10.1021/acs.iecr.9b00856），我们通过合成CaSO 4·2 H2O的脱水制备了这两种产物，并获得了作为温度和水蒸气分压的函数的定量吸附数据。在这一部分中，我们开发了宏观溶液模型（理想和非理想）来模拟AIII-CaSO 4上的单层吸附。这允许计算这种现象的吸附能，证明了物理吸附机制。对于CaSO_4·0.5H_2O，我们用多层吸附模型（BET模型）解释了水的吸附。对于这两种材料，我们表明，氮吸附数据是不足以代表他们的整个表面积和孔隙率的档案相比，他们的水蒸气吸附能力。
We employ a rigorous thermodynamic modeling approach to investigate the water adsorption phenomena on two calcium sulfate compounds, AIII-CaSO4 and CaSO4·0.5H2O. In part 1 of this work ( Ind. Eng. Chem. Res., 2019, DOI: 10.1021/acs.iecr.9b00856), we prepared these two products by the dehydration of synthetic CaSO4·2H2O and obtained quantitative adsorption data as a function of the temperature and water vapor partial pressure. In this part, we develop macroscopic solution models (ideal and nonideal) to model monolayer adsorption on AIII-CaSO4. This allowed the calculation of the energies of adsorption for this phenomenon, evidencing a physisorption mechanism. For the CaSO4·0.5H2O, we interpreted the water adsorption using a multilayer adsorption model (BET model). For both materials, we showed that nitrogen adsorption data was not sufficient to represent their entire surface areas and porosity profiles compared to their water vapor sorption capacity.