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基于酸度系数(pKa)模型的胺法SO2捕集过程多目标效能分析 被引量:2
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作者 王东亮 谢江鹏 +2 位作者 孟文亮 李婧玮 周怀荣 《化工进展》 EI CAS CSCD 北大核心 2022年第10期5669-5676,共8页
筛选高SO吸收容量、低解吸能耗的吸收剂是提高胺基烟气SO捕集工艺应用潜力的重要途径。本研究采用SMD连续溶剂化模型和密度泛函理论在M05-2X/6-31G~*基组水平上预测了5种有机二胺类物质的pK,基于预测的pK建立起吸收剂对SO吸收容量和解... 筛选高SO吸收容量、低解吸能耗的吸收剂是提高胺基烟气SO捕集工艺应用潜力的重要途径。本研究采用SMD连续溶剂化模型和密度泛函理论在M05-2X/6-31G~*基组水平上预测了5种有机二胺类物质的pK,基于预测的pK建立起吸收剂对SO吸收容量和解吸反应热的数学模型,以探讨有机二胺-酸-水三元体系吸收剂捕集SO过程中的效能关系。结果表明,数学模型符合工程精度要求。二胺的SO吸收容量和脱质子反应焓都随pK增大而增加,筛选有机胺吸收剂展现出对SO吸收容量和反应焓的多目标矛盾性特征;量化了5种二胺的SO循环吸收容量和解吸反应热的数值关系,在相同SO循环容量条件下,5种二胺中羟乙基哌嗪(HEP)的解吸热最小,HEP为有机二胺-酸-水三元体系中的一种潜力二胺类吸收剂。 展开更多
关键词 有机胺 SO2捕集 分子模拟 吸收容量 解吸反应热
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Investigation of heat sink of endothermic hydrocarbon fuels 被引量:1
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作者 郭永胜 林瑞森 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2005年第7期632-635,共4页
Endothermic hydrocarbon fuels are advanced coolants for high-temperature structures of spacecraft. No data of tested-cooling-ability of endothermic fuels have been broadly discussed in literature. In this work a high-... Endothermic hydrocarbon fuels are advanced coolants for high-temperature structures of spacecraft. No data of tested-cooling-ability of endothermic fuels have been broadly discussed in literature. In this work a high-temperature flow calorimeter was designed, and the cooling capacity of six different hydrocarbon fuels were measured. Experimental results showed that these hydrocarbon fuels have capacity for cooling high-temperature structures, and that the cooling capacity of fuel N-1 can reach 3.15 M J/kg, which can nearly satisfy the requirement of thermal management for a Mach 3 cruise aircraft, whose heat sink requirement is about 3.5 M J/kg. The endothermic velocity of hydrocarbon fuels was also measured by the calorimeter. 展开更多
关键词 Endothermic hydrocarbon fuels Heat sink. Thermal management Cooling capacity
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Reaction heat-driven CO2 desorption during CO oxidation on Au(997) at low temperatures
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作者 Zongfang Wu Zhiquan Jiang +3 位作者 Yuekang Jin Feng Xiong Guanghui Sun Weixin Huang 《Science China Chemistry》 SCIE EI CAS CSCD 2016年第6期752-759,共8页
Adsorption and reaction of CO and CO2 were studied on oxygen-covered Au(997) surfaces by means of temperature- programmed desorption/reaction spectroscopy. Oxygen atoms (O(a)) on Au(997) enhances the CO2 adsor... Adsorption and reaction of CO and CO2 were studied on oxygen-covered Au(997) surfaces by means of temperature- programmed desorption/reaction spectroscopy. Oxygen atoms (O(a)) on Au(997) enhances the CO2 adsorption and stabilizes the adsorbed COe(a), and the stabilization effect also depends on the CO2(a) coverage and involved Au sites. CO2(a) desorp- tion is the rate-limiting step for the CO+O(a) reaction to produce CO2 on Au(997) at 105 K and exhibits complex behaviors, including the desorption of CO2(a) upon CO exposures at 105 K and the desorption of O(a)-stabilized CO2(a) at elevated temperatures. The desorption of CO2(a) from the surface upon CO exposures at 105 K to produce gaseous CO2 depends on the surface reaction extent and involves the reaction heat-driven CO2(a) desorption channel. CO+O(a) reaction proceeds more easily with weakly-bound oxygen adatoms at the (111) terraces than strongly-bound oxygen adatoms at the (111) steps. These re- sults reveal complex rate-limiting COe(a) desorption behaviors during CO+O(a) reaction on Au surfaces at low temperatures which provide novel information on the fundamental understanding of Au catalysis. 展开更多
关键词 Au single crystal TPD/TPRS oxygen adsorption Au catalysis
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