New insight in adsorption of pyridine on the two modified adsorbents types MN200 and MN500 by means of grand canonical ensemble
New insight in adsorption of pyridine on the two modified adsorbents types MN200 and MN500 by means of grand canonical ensemble
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DOI：
10.1016/j.molliq.2018.05.008
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发表时间：
2018-08-01
影响因子：
6
通讯作者：
Abdelmottaleb, Ben Lamine
中科院分区：
文献类型：
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作者：
Mohamed, Bouzid;Zhu Qingyu;Abdelmottaleb, Ben Lamine
为了更好地了解吡啶在改性Macronet基吸附剂上的吸附过程，在相同条件下(298、308、318和328K)构建了MN200和MN500型单一吸附体系。发展并选择了基于双能双层模型的统计物理。根据理论观察和模拟结果，对第一个体系(吡啶/MN200)的每个位置的分子数研究表明，吸附分子在吸附过程中发生聚集。另一方面，对于第二个体系(吡啶/MN500)，我们可以看到每个位置的分子数量随着温度的升高而增加，这是由于磺酸官能团的存在。因此，因为他，聚合的过程被阻止了。在能量上，吸附分子与吸附剂表面之间的相互作用受吸附能控制，表明发生了物理吸附过程。用可能的机理描述了吡啶在吸附过程中与两种吸附剂表面MN200和MN500之间的相互作用，符合统计物理参数。然后，应用该模型计算了控制吸附机理的热力学函数，如熵、吉布斯自由能和内能等。计算并解释了这些热力学势函数。(C)2018爱思唯尔B.V.保留所有权利。
To better understand the adsorption process of pyridine on modified Macronet based adsorbent types MN200 and MN500 were constructed at identical conditions (298, 308, 318 and 328 K) in single adsorption systems. The statistical physic based on the double layer model with two energies has been developed and selected. From theoretical observations and based on the simulation results, the study of the number of molecules per site indicated that the adsorbed molecules aggregate during the adsorption process for the first system (Pyridine/MN200). On the other hand, for the second system (Pyridine/MN500), we can see that the number of molecules per site increase with temperature, which is due to the presence of sulfonic acid functional groups. So because of him the process of aggregation is blocked. Energetically, the interactions between the adsorbed molecules and adsorbent surface were governed by the adsorption energy showing that a physisorption process has occurred. The two adsorption systems were characterized by probable mechanisms describing the interaction, during the adsorption process, between pyridine and the two adsorbents surface MN200 and MN500, in agreement with the statistical physics parameters. Then, the model is applied to calculate thermodynamic functions which govern the adsorption mechanisms such as entropy, free enthalpy of Gibbs and internal energy. These thermodynamics potentials functions are calculated and interpreted. (C) 2018 Elsevier B.V. All rights reserved.