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作 者:杨宁[1] 刘振宇 郝敬洋 吴宇峰 周云龙[1] YANG Ning;LIU Zhenyu;HAO Jingyang;WU Yufeng;ZHOU Yunlong(College of Energy and Power Engineering,Northeast Electric Power University,Jilin 132012,China)
机构地区:[1]东北电力大学能源与动力工程学院,吉林132012
出 处:《工程热物理学报》2022年第10期2693-2698,共6页Journal of Engineering Thermophysics
基 金:国家自然科学基金(No.52006029);吉林省青年科技人才托举工程项目(No.QT202113);吉林省产业技术研发专项(No.2019C056-2)。
摘 要:CO_(2)捕集技术对于降低火电机组的CO_(2)排放具有重要意义,CO_(2)吸收过程中气体和碱性溶液的相互作用对于CO_(2)捕集效果具有本质影响。本研究通过获取鼓泡反应器内部纯化水中不同气体流量(20∼60 mL/min)气泡的型态信息,结合建立的化学反应模型,分别通过几何结构型态、态密度DOS、电荷密度、反应热量等量子化学理论考察了CO_(2)的Ⅰ级反应和Ⅱ级反应化学吸收机理,研究不同浓度的碱性溶液(2OH^(1−)∼4OH^(1−)离子体系)对CO_(2)吸收特性的影响,研究结果表明:增加气体流量可以产生边缘的扰动促进CO_(2)的化学吸收;态密度DOS和电荷密度的计算表明,C元素在–20∼0 e V的能量峰值发生明显降低,Ⅰ级反应的产物CO_(3)^(2−)是相对牢固的结构,活跃的自由电子得到有效的固定;对于碱性溶液浓度增至4OH^(1−)离子体系,Ⅱ级反应热量的增加结果说明产物HCO^(1−)_(3)是极不可能存在的。CO_(2)capture is of great significance to reduce the CO_(2)emission from power plants.The interaction between CO_(2)and alkaline solution in the absorption process has an essential impact on the CO_(2)capture effect.In this work,the bubble shape information at different gas flowrates(20~60 mL/min)inside purified water in the bubbling reactor was obtained.Combined with the chemical reaction model,the CO_(2)absorption mechanism at the reaction stage Ⅰ and Ⅱ was investigated using quantum chemical theories,such as geometric structure,density of state DOS,charge density,reaction heat,etc.,and the influence of different alkaline solution concentrations(2OH^(1−)~4OH^(1−))on CO_(2)absorption characteristics was also revealed.The results show that increasing the gas flowrate can produce bubble interface disturbance and promote the CO_(2)chemical absorption.The DOS shows the energy peak of carbon element at–20~0 e V is significantly reduced and the charge density shows the active electrons are effectively fixed,these results illustrate the CO_(3)^(2−) at the reaction stage Ⅰ is a stable structure.when it comes to the 4OH^(1−),the increase in the reaction heat at reaction stage Ⅱ shows that the HCO^(1−)_(3) would not be possible to exist.
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