关键词：正丙醇；产业发展

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关键词：化企；甲醇

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关键词：尿素市场；反弹

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The objective of the Electrochemical Energy Storage program is to develop enabling materials systems for future electrochemical energy storage devices. The program focuses on developing nanostructured electrodes and improved solid state electrolytes for high power & energy density devices and to explore new 3D nanostructured architectures to enable optimal performance. The goal is to supply performance improvement (i.e. increased power and energy density, longer shelf and use life, and higher charge/discharge rates) as well as provide new capabilities such as flexibility or the ability to incorporate energy storage directly into electronic devices, structures, or fabrics. Application focus for improved electrochemical energy storage materials is small autonomously powered remotely piloted aircraft (RPAs), airfield support, deployed airbase power, and portable soldier power. Near term goal is to increase energy density to allow 4-5X mission duration. Long term goal is to provide an autonomous power system by coupling improved energy storage with energy harvesting to permit 24/7 operation.

关键词：电化学储能；电极；电解质；能量密度；高功率；纳米结构；远程驾驶车辆；固体电解质；三维

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The investigation and design of new classes of materials for energy and catalysis requires a multi-facetted approach to simulation. Multiple methods are needed to study materials on the length scale 0.1 nm - 10 nm. For simulations where the atomic (and electronic) degrees of freedom are relevant, the methods of choice in the surface science, condensed matter physics, and material science communities are classical molecular dynamics (CMD), Density Functional Theory (DFT), and quantum Monte Carlo (QMC).

关键词：储能；储能材料；催化；电子结构；分子动力学；仿真

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This project provides critical innovations and fundamental understandings that enable development of an economically-viable process for catalytic conversion of biomass (sugar) to 5-hydroxymethylfurfural (HMF). A low-cost ionic liquid (Cyphos 106) is discovered for fast conversion of fructose into HMF under moderate reaction conditions without any catalyst. HMF yield from fructose is almost 100on the carbon molar basis. Adsorbent materials and adsorption process are invented and demonstrated for separation of 99pure HMF product and recovery of the ionic liquid from the reaction mixtures. The adsorbent material appears very stable in repeated adsorption/regeneration cycles. Novel membrane-coated adsorbent particles are made and demonstrated to achieve excellent adsorption separation performances at low pressure drops. This is very important for a practical adsorption process because ionic liquids are known of high viscosity. Nearly 100conversion (or dissolution) of cellulose in the catalytic ionic liquid into small molecules was observed. It is promising to produce HMF, sugars and other fermentable species directly from cellulose feedstock. However, several gaps were identified and could not be resolved in this project. Reaction and separation tests at larger scales are needed to minimize impacts of incidental errors on the mass balance and to show 99.9ionic liquid recovery. The cellulose reaction tests were troubled with poor reproducibility. Further studies on cellulose conversion in ionic liquids under better controlled conditions are necessary to delineate reaction products, dissolution kinetics, effects of mass and heat transfer in the reactor on conversion, and separation of final reaction mixtures.

关键词：生物质能；催化作用；生物质转化；燃料；吸附剂；碳纤维素

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关键词：石化行业；产能过剩；对策建议

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关键词：石化行业；利润

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关键词：化工行业；增加值

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关键词：化学农药；产量同比

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