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| 1 | 不可逆量子斯特林热泵循环性能分析与优化显示文摘建立了以一维无限深势阱中极端相对论粒子为工质的不可逆量子斯特林热泵循环模型。考虑高低温热源之间的热漏,导出了循环的性能系数与无量纲泵热率的表达式。分析了循环性能与各性能参数之间的关系。研究发现,热泵的性能系数与无量纲泵热率都随粒子在状态1进处于激收态上的占有几度单调递减,性能系数与无量纲泵热率都是势阱宽度比的凸单调函数。无量纲泵热率关于性能系数的关系曲线为回原点的扭叶型,并确定了该不可逆量子斯特林热泵的最优运行区间。 | 刘存 殷勇 杨晗 朱鹮 李恩泽 汪浩 杨永康 | 2021 | 武汉工程大学学报2021，43，2： | 4 |
| 2 | Recent progress of green sorbents-based technologies for low concentration CO_(2) capture显示文摘The increased concentration of CO_(2) due to continuous breathing and no discharge of human beings in the manned closed space,like spacecraft and submarines,can be a threat to health and safety.Effective removal of low concentration CO_(2) from the manned closed space is essential to meet the requirements of long-term space or deep-sea exploration,which is an international frontier and trend.Ionic liquids(ILs),as a widespread and green solvent,already showed its excellent performance on CO_(2) capture and absorption,indicating its potential application in low concentration CO_(2) capture.In this review,we first summarized the current methods and strategies for direct capture from low concentration CO_(2) in both the atmosphere and manned closed spaces.Then,the multi-scale simulation methods of CO_(2) capture by ionic liquids are described in detail,including screening ionic liquids by COSMO-RS methods,capture mechanism by density functional theory and molecular dynamics simulation,and absorption process by computational fluid dynamics simulation.Lastly,some typical IL-based green technologies for low concentration CO_(2) capture,such as functionalized ILs,co-solvent systems with ILs,and supported materials based on ILs,are introduced,and analyzed the subtle possibility in manned closed spaces.Finally,we look forward to the technology and development of low concentration CO_(2) capture,which can meet the needs of human survival in closed space and proposed that supported materials with ionic liquids have great advantages and infinite possibilities in the vital area. | Yuanyue Zhao Yihui Dong Yandong Guo Feng Huo Fang Yan Hongyan He | 2021 | Chinese Journal of Chemical Engineering2021，34，3： | 3 |
| 3 | Lamellar water induced quantized interlayer spacing of nanochannels walls显示文摘The nanoscale confinement is of great important for the industrial applications of molecular sieve,desalination,and also essential in bio-logical transport systems.Massive efforts have been devoted to the influence of restricted spaces on the properties of confined fluids.However,the situation of channel-wall is crucial but attracts less attention and remains unknown.To fundamentally understand the mechanism of channel-walls in nanoconfinement,we investigated the interaction between the counter-force of the liquid and interlamellar spacing of nanochannel walls by considering the effect of both spatial confinement and surface wettability.The results reveal that the nanochannel stables at only a few discrete spacing states when its confinement is within 1.4 nm.The quantized interlayer spacing is attributed to water molecules becoming laminated structures,and the stable states are corresponding to the monolayer,bilayer and trilayer water configurations,respectively.The results can potentially help to understand the characterized interlayers spacing of graphene oxide membrane in water.Our findings are hold great promise in design of ion filtration membrane and artificial water/ion channels. | Yue Zhang Chenlu Wang Chunlei Wang Yingyan Zhang Junhua Zhao Ning Wei | 2024 | Green Energy & Environment2024，9，2： | 0 |
| 4 | Effects of anions and alkyl chain length of imidazolium-based ionic liquids at the Au(111)surface on interfacial structure:a first-principles study显示文摘The interfacial structure and adsorption mechanism of imidazolium-based ionic liquids(ILs)on Au(111)surface were investigated via first-principles calculation.Electron density analysis and Bader charge analysis were used to explore the electronic structure of Au(111)-ILs interface.Computations show that the alkyl chain length and anions play a significant role in designing Au(111)-ILs interfacial structure.On the one hand,the stability of interface and adsorption energy tend to be enhanced as the alkyl chain length increases.It attributes to the methylene group of alkyl chain which could easily anchor on the gold interface.On the other hand,the difference in anions makes the adsorption behavior quite different.The adsorption energy follows the order:[C_(n)mim][Br]>[C_(n)mim][Cl]>[Cnmim][TFSA]>[C_(n)mim][OAc]>[C_(n)mim][PF6]>[C_(n)mim][BF_(4)].The nonfluorinated ILs(containing Br,Cl,and O atoms of anions)always have a drastic charge transfer among gold-ILs interface.However,the larger van der Waals(vdWs)volumes of the fluorinated anions have a more diffused electron density which lead to the relatively weak interaction.To sum up,a detailed and systematic investigation of the variation of anions and alkyl chain length of ILs which will affect the interfacial structure is fully studied.The above study could be helpful to understand electrode-electrolyte microscopic interface and design of functional materials for energy storage. | Chunlei Wei Kun Jiang Timing Fang Xiaomin Liu | 2021 | Green Chemical Engineering2021，2，4： | 0 |
| 5 | 纳微尺度热力学与前沿应用显示文摘在实际化工过程中,纳微尺度界面体系普遍存在,且与反应和传递等过程高度耦合.这种耦合增加了直接应用宏观热力学模型和规律的难度,进而在工程预测、放大及调控方面带来挑战,制约了绿色化工技术创新和规模应用的发展.本文针对纳微尺度热力学的起源、内涵及其在前沿领域的应用进行了深入探讨.首先,以绿色介质离子液体为例,展示了纳微尺度下的独特界面结构和功能,讨论了离子液体结构–功能间的纳微尺度热力学关联机制;然后,概述了适用于纳微尺度热力学领域的研究方法,提出了集合高精度原位动态实验、精准高效计算模拟和高通量自动化人工智能相结合的研究范式;随后,总结了纳微尺度热力学理论在反应、分离和电化学领域的前沿应用,并对其挑战和未来机遇进行了深入讨论和展望.总之,纳微尺度热力学的新理论和新方法,不仅可以为化工学科的科学研究开辟新的视野和路径,还将推动化工过程实现从“分子设计→结构功能调控→工程放大规律”的跨越,催生出适应于新体系、新应用和新需求的化工热力学新学科. | 王艳磊 刘亚伟 董坤 何宏艳 李垚 张锁江 | 2024 | 中国科学:化学2024，54，1： | 0 |
| 6 | 不可逆量子狄塞尔制冷循环性能研究显示文摘建立一个不可逆量子狄塞尔制冷循环模型,循环工质为一维无限深方势阱中的粒子.该循环由两个绝热过程、一个等势阱宽度过程和等压力过程组成.考虑高低温热源间热漏,基于有限时间热力学和薛定谔方程,推导制冷系数与无量纲制冷率的表达式,分析性能参数与截止比、压缩比和热漏系数之间的关系.结果表明,制冷系数与截止比的关系曲线为类抛物线型,无量纲制冷率是截止比的单调递减函数.给定压缩比与热漏系数,制冷系数与无量纲制冷率的关系曲线都是类抛物线型,存在一个最佳无量纲制冷率,使制冷系数取极大值. | 丁佳 殷勇 魏轩宇 刘存 谢心怡 汪浩 | 2022 | 节能2022，41，4： | 0 |
| 7 | 碳酸铈在NaCl-H_(2)O体系中的相平衡热力学模型显示文摘碳酸铈是生产CeO的重要前驱体,对其性质具有决定性影响。碳酸铈的结晶特征取决于反应结晶过程中过饱和度的控制,其在NaCl-H_(2)O体系中的相平衡数据是关键基础数据。本工作首先在298.15~363.15 K温度范围内合成了碳酸铈,XRD分析结果显示,323.15 K 及以下得到的产品为八水碳酸铈[Ce_(2)(CO_(3))_(3)·8H_(2)O], 343.15 K 及以上得到的产品为碱式碳酸铈[CeCO_(3)OH]。本工作采用经典等温法测定了这两种碳酸铈化合物在 NaCl-H_(2)O 体系中的相平衡数据,并利用 Aspen Plus 平台的ELEC-NRTL 方程建立了可准确预测 Ce_(2)(CO_(3))_(3)·8H_(2)O 和 CeCO_(3)OH 在 NaCl-H_(2)O 体系中相平衡数据的热力学模型。在无限稀释假设的基础上,通过回归Ce_(2)(CO_(3))_(3)·8H_(2)O 和 CeCO_(3)OH 在水中的溶解度数据,确定了这两种化合物的溶度积。采用赋存形态分析方法,将CeCO_(3)~+, CeOH, CeHCO等组分引入热力学模型。利用实验数据获得了新的离子对(Ce-HCO~-和Ce-Cl~-)参数,提高了新模型的预测能力,所建立的热力学模型预测值与实验数据吻合较好。 | 栾峰 王道广 王均凤 张建伟 崔朋蕾 | 2022 | 过程工程学报2022，22，8： | 0 |
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