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The volume expansion effect of amine during CO2 adsorption process: An experimental study combined with theoretical calculations.
Journal of Colloid and Interface Science ( IF 9.4 ) Pub Date : 2020-03-24 , DOI: 10.1016/j.jcis.2020.03.088 Yi Chen 1 , Huili Yuan 1 , Haian Xia 2 , Wei Jiang 1 , Can Yang 1 , Gengshen Hu 1 , Youzhao Lan 1 , Maohong Fan 3
Journal of Colloid and Interface Science ( IF 9.4 ) Pub Date : 2020-03-24 , DOI: 10.1016/j.jcis.2020.03.088 Yi Chen 1 , Huili Yuan 1 , Haian Xia 2 , Wei Jiang 1 , Can Yang 1 , Gengshen Hu 1 , Youzhao Lan 1 , Maohong Fan 3
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The volume expansion effect of amine supported on mesoporous silica during CO2 adsorption process was found for the first time through well-designed experiments and was further confirmed by theoretical calculations. It was found that the residual pore volume of mesocellular silica foam (MCF) based solid amine sorbent (tetraethylenepentamine (TEPA) supported on MCF) gradually decreased with the increase of CO2 uptake. Moreover, the surface area, the average diameters of window and cell of MCF show a similar changing trend. This is due to the volume expansion effect of TEPA during CO2 adsorption process, i.e., the total volume of reaction products of TEPA and CO2 is larger than that of pure TEPA. The products are very sticky and almost lose the liquidity totally even at 80 °C. The sticky products and the volume expansion effect may increase the mass transfer resistance and are not beneficial to higher CO2 uptakes especially for solid amine sorbent with higher amine loading due to the decrease of pore size and the residual pore volume. DFT calculations based on simple models also indicate that the total volume of the generated products is much larger than that of unreacted amine, further confirming the volume expansion effect of amine during CO2 adsorption process. DFT calculations also indicate that the volume is even doubled in the presence of moisture. The volume expansion effect of solid amine sorbent found in this study may help to design the sorbent with high CO2 capture performance and less the mass transfer resistance.
中文翻译：
胺在CO2吸附过程中的体积膨胀效应：结合理论计算的实验研究。
通过精心设计的实验，首次发现了胺吸附在介孔二氧化硅上的体积膨胀效应，这是通过精心设计的实验首次发现的，并通过理论计算得到了进一步证实。结果发现，中孔二氧化硅泡沫（MCF）基固体胺吸附剂（MCF负载的四亚乙基五胺（TEPA））的残留孔体积随着CO2吸收的增加而逐渐减小。而且，MCF的表面积，窗口和细胞的平均直径显示出相似的变化趋势。这是由于TEPA在CO2吸附过程中的体积膨胀作用，即TEPA和CO2的反应产物的总体积大于纯TEPA的体积。这些产品非常粘，即使在80°C时也几乎完全失去了流动性。粘性产品和体积膨胀效应可能会增加传质阻力，并且由于孔尺寸的减小和残留孔体积的减少，尤其对于胺负载量较高的固体胺吸附剂而言，不利于较高的CO 2吸收率。基于简单模型的DFT计算还表明，生成的产物的总体积比未反应的胺大得多，进一步证实了胺在CO2吸附过程中的体积膨胀作用。DFT计算还表明，在存在水分的情况下，体积甚至增加了一倍。这项研究中发现的固体胺吸附剂的体积膨胀效应可能有助于设计出具有较高的CO2捕集性能和较小的传质阻力的吸附剂。
更新日期：2020-03-26
中文翻译：
胺在CO2吸附过程中的体积膨胀效应：结合理论计算的实验研究。
通过精心设计的实验，首次发现了胺吸附在介孔二氧化硅上的体积膨胀效应，这是通过精心设计的实验首次发现的，并通过理论计算得到了进一步证实。结果发现，中孔二氧化硅泡沫（MCF）基固体胺吸附剂（MCF负载的四亚乙基五胺（TEPA））的残留孔体积随着CO2吸收的增加而逐渐减小。而且，MCF的表面积，窗口和细胞的平均直径显示出相似的变化趋势。这是由于TEPA在CO2吸附过程中的体积膨胀作用，即TEPA和CO2的反应产物的总体积大于纯TEPA的体积。这些产品非常粘，即使在80°C时也几乎完全失去了流动性。粘性产品和体积膨胀效应可能会增加传质阻力，并且由于孔尺寸的减小和残留孔体积的减少，尤其对于胺负载量较高的固体胺吸附剂而言，不利于较高的CO 2吸收率。基于简单模型的DFT计算还表明，生成的产物的总体积比未反应的胺大得多，进一步证实了胺在CO2吸附过程中的体积膨胀作用。DFT计算还表明，在存在水分的情况下，体积甚至增加了一倍。这项研究中发现的固体胺吸附剂的体积膨胀效应可能有助于设计出具有较高的CO2捕集性能和较小的传质阻力的吸附剂。
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