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分子化学工程的进展
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作者 周忠清 陈丽 《精细石油化工》 CAS CSCD 1993年第3期63-67,共5页
1 前言分子科学的进步,弄清了分子的结构及特性,揭示了分子化学反应的本质;高新技术的发展,提供了先进的实验手段,采用了超大型高速电子计算技术,为人工合成和设计新的分子、新型材料奠定了基础。
关键词 分子化学工程 进展
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煤基功能碳材料的合成及储能应用 被引量:2
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作者 张永 杨琪 +2 位作者 邵渊 曾友 邱介山 《煤炭学报》 EI CAS CSCD 北大核心 2023年第9期3522-3541,共20页
煤及其热加工转化的衍生品煤沥青等是重要的化工资源,基于分子化学工程的技术方法和多维碳材料工程的新理念,发展煤基功能碳材料是实现煤炭资源清洁高效高值利用的有效途径。煤炭及煤沥青在分子层面呈现稠环芳烃特性,可通过物理外场(微... 煤及其热加工转化的衍生品煤沥青等是重要的化工资源,基于分子化学工程的技术方法和多维碳材料工程的新理念,发展煤基功能碳材料是实现煤炭资源清洁高效高值利用的有效途径。煤炭及煤沥青在分子层面呈现稠环芳烃特性,可通过物理外场(微波、等离子体等)强化作用,利用分子化学裁剪、杂化改性、界面组装等技术手段,实现零维、一维、二维和三维煤基功能碳材料的可控合成,将推动煤基功能碳材料的储能应用。介绍了煤及其热加工转化衍生品的来源、种类及理化性质,系统总结了数种煤基功能碳材料如碳点、炭纤维、碳纳米管、石墨烯、炭纳米片、多孔炭、炭气凝胶、泡沫炭等的制备方法及优缺点;重点介绍了硬炭、软炭、多孔炭、杂原子掺杂炭等煤基功能碳材料的储能应用,突出了碳层取向调控、杂原子掺杂、限域空间构筑等技术策略在提升碳材料离子存储性能方面的重要作用;介绍了煤基功能碳材料与过渡金属或过渡金属化合物有机耦合制备复合材料的方法,诠释了煤基碳源之性质与高容量且体积变化明显的碳电极材料之结构性能间的本征构效关系;讨论了煤基功能碳材料面临的可控度低、前驱体分子结构演变复杂、合成方法优化等问题。基于分子化学工程理念及过程强化技术的发展,讨论了煤基功能碳材料的未来发展方向。 展开更多
关键词 煤基功能碳材料 储能 煤化工资源清洁高效利用 多维碳材料工程 分子化学工程
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The Applicability of the Density Rule of Pathwardhan and Kumer and the Rule Based on Linear Isopiestic Relation 被引量:1
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作者 胡玉峰 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2001年第3期319-321,共3页
The applicability of the density rule of Pathwardhan and Kumer and the rule based on the linear isopiestic relation is studied by comparison with experimental density data in the literature. Predicted and measured val... The applicability of the density rule of Pathwardhan and Kumer and the rule based on the linear isopiestic relation is studied by comparison with experimental density data in the literature. Predicted and measured values for 18 electrolyte mixtures are compared. The two rules are good for mixtures with and without common ions, including those containing associating ions. The deviations of the rule based on the linear isopiestic relation are slightly higher for the mixtures involving very strong ion complexes, but the predictions are still quite satisfactory.The density rule of Pathwardhan and Kumer is more accurate for these mixtures. However, it is not applicable for mixtures containing non-electrolytes. The rule based on the linear isopiestic relation is extended to mixtures involving non-electrolytes. The predictions for the mixtures containing both electrolytes and non-electrolytes and the non-electrolyte mixtures are accurate. All these results indicate that this rule is a widely applicable approach. 展开更多
关键词 binary density rules DENSITY apparent molar volume multicomponent system binary sub-system
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Capillary Phase-Transition and Self-Diffusion of Ethylene in the Slit Carbon Pores
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作者 刘涛 刘洪来 袁渭康 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2004年第4期515-520,共6页
The grand canonical Monte Carlo (GCMC), the canonical Monte Carlo by using equal probability perturbation, and the molecular dynamics (MD) methods were used to study the capillary phase-transition (capillary condensat... The grand canonical Monte Carlo (GCMC), the canonical Monte Carlo by using equal probability perturbation, and the molecular dynamics (MD) methods were used to study the capillary phase-transition (capillary condensation and evaporation) and self-diffusion for a simple Lennard-Jones model of ethylene confined in slit carbon pores of 2.109 nm at temperatures between 141.26 K and 201.80 K. The critical point of capillary phase-transition was extrapolated by the critical power law and the law of rectilinear diameter from the capillary phase-transition data in the near critical region. The effects of temperature and fluid density on the parallel self-diffusion coefficients of ethylene molecules confined in the slit carbon pores were examined. The results showed that the parallel selfdiffusion coefficients in the capillary phase transition area strongly depended on the fluids local densities in the slit carbon pores. 展开更多
关键词 capillary phase-transition SELF-DIFFUSION
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