Synthesis of Ionic Ultramicroporous Polymers for Selective Separation of Acetylene from Ethylene

The design of highly stable and efficient porous materials is essential for developing breakthrough hydrocarbon separation methods based on physisorption to replace currently used energy-intensive distillation/absorption technologies. Efforts to develop advanced porous materials such as zeolites, coordination frameworks, and organic polymers have met with limited success. Here, a new class of ionic ultramicroporous polymers (IUPs) with high-density inorganic anions and narrowly distributed ultramicroporosity is reported, which are synthesized by a facile free-radical polymerization using branched and amphiphilic ionic compounds as reactive monomers. A covalent and ionic dual-crosslinking strategy is proposed to manipulate the pore structure of amorphous polymers at the ultramicroporous scale. The IUPs exhibit exceptional selectivity (286.1–474.4) for separating acetylene from ethylene along with high thermal and water stability, collaboratively demonstrated by gas adsorption isotherms and experimental breakthrough curves. Modeling studies unveil the specific binding sites for acetylene capture as well as the interconnected ultramicroporosity for size sieving. The porosity-engineering protocol used in this work can also be extended to the design of other ultramicroporous materials for the challenging separation of other key gas constituents.     

PWR堆芯燃料组件非线性梁模型研究

为描述燃料组件的非线性特性，采用有限元方法建立燃料组件横向梁模型，并引入迟滞模型，用于模拟燃料组件横向变形时的非线性效应。计算结果表明:该非线性梁模型能够更准确地获得组件的弯曲变形和受力，有助于开展燃料组件事故分析。      

Relationship Between Shipping Accessibility and Maritime Transport Demand: the Case of Mainland China

Networks and Spatial Economics - The relationship between shipping accessibility and maritime transport demand is studied based on the relationship between production and consumption and stochastic...     

MPE: a mobility pattern embedding model for predicting next locations

World Wide Web - The wide spread use of positioning and photographing devices gives rise to a deluge of traffic trajectory data (e.g., vehicle passage records and taxi trajectory data), with each...     

日本新型二次电池工业发展及其与中国的比较

在新型二次电池产业的发展中,氢镍电池市场不断萎缩,锂离子电池市场正处于黄金时代。通过对日本和中国新型二次电池产业发展历程分析,我国主要针对低端市场,高端市场为日本占据,并从日本发展经验中提出了可供我国锂离子电动车电池发展的借鉴之处。     

Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry     

Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

极限工况下的管网“互联互通”改进方案

在全国天然气管道“主干互联、区域成网”(以下简称“互联互通”)基础格局逐渐形成的背景下,天然气管网规模日益扩大、管道分支和气源增加,并且分布不集中、输送方向可变,使得输气方案更加灵活,可以更好地解决某些地域的供气紧张问题;但受现有站场和设备的限制,暂不能满足某些多线组合极限工况,使得“互联互通”的初衷难以全部实现。为了使得现有的各输气干线在实现“互联互通”之后可以满足更多的多线组合工况,在分析“互联互通”背景下M管网工况变化的基础上,研发了可以进行水力仿真和压气站方案制订的计算软件,并对3种极限工况下的不同输气量情况进行了可行性试算,进而基于试算结果提出了相应的管网改进建议。研究结果表明:(1)经验证,软件计算误差满足要求;(2)在M管道某处增设压气站或在某些输气站场配置压缩机组;(3) M管网改进调整后,可以完成大部分的多线组合极限工况,真正实现“互联互通”的输气方案。结论认为,该研究成果有助于推进全国天然气管网早日实现“互联互通”。     

亲子乐园空调送风方式的数值模拟研究

大型综合室内亲子乐园属于高大空间,设有游乐设施和游戏的特殊性使得对空间的舒适性要求一致,但是送风气流遇阻严重,室内存在较多气流死角,影响室内空气质量和儿童健康。因此其空调设计不仅需要考虑温度、风速的空间均匀度,还要考虑各点的空气龄和PMV-PPD指标。以天津某亲子乐园为研究对象,利用scSTREAM软件对适用于该房间的辐射供冷加新风、置换通风、混合通风三种空调方式的送风效果进行数值模拟分析,从流场的均匀性、人员的热舒适性等方面对模拟结果进行探讨,研究结果表明辐射供冷加新风方式的空间均匀性和PMV指标最佳,混合通风方式的空气龄最小。