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| 1 | 采用分子动力学模拟方法分析pH对聚多巴胺膜结构和传质特性的影响(英文)显示文摘Detailed atomistic structures are constructed for polydopamine membranes containing different amounts of catechol and quinone groups to investigate the effect of p H value in the membrane casting solution on sorption and diffusion of small gas molecules(water and propylene) in the membranes. Interactions between dopamine oligomers are calculated, and it is found that the interactions decrease from- 2356.52 k J·mol-1in DOP-1 to-1586.69 k J·mol-1in DOP-3 when all of the catechol groups are converted to quinone groups. The mobility of polymer segments and free volume properties of polydopamine membranes are analyzed. The sorption quantities of water and propylene in the membrane are calculated using Grand Canonical Monte Carlo method. The sorption results show that water adsorbed in DOP-1, DOP-2 and DOP-3 are 17.3, 18.6 and 20.0 mg water per gram polymer, respectively, and no propylene molecule can be adsorbed. The diffusion behavior of water molecules in the membrane is investigated by molecular dynamics simulation. The diffusion coefficients of water molecules in DOP-1, DOP-2 and DOP-3 membranes are(1.80 ± 0.52) × 10-11,(3.40 ± 0.64) × 10-11and(4.50 ± 0.92) × 10-11m2·s-1, respectively. The predicted sorption quantities and diffusion coefficients of water and propylene in the membrane present the same trends as those from experimental results. | 潘福生 邢瑞思 姜忠义 | 2014 | Chinese Journal of Chemical Engineering2014，22，10： | 2 |
| 2 | 金属-有机骨架材料对含CO_(2)气体混合物分离的应用显示文摘金属-有机骨架材料是以过渡金属或镧系金属离子与有机配体配位形成的多孔配位聚合物。金属-有机骨架材料具有密度低、比表面积大、易合成和可设计等优点,被广泛用于气体存储和分离研究。文章主要介绍了金属-有机骨架材料对含CO_(2)气体混合物的分离方面的应用。 | 唐李兴 | 2022 | 化工管理2022，，25： | 0 |
| 3 | 气体在ZIF-8成型材料上吸附行为的研究(英文)显示文摘Zeolitic imidazolate framework-8(ZIF-8) was prepared through a solve-thermal reaction method and then shaped using different additives. The in fluence of the shaping conditions on the microstructure of the shaped samples was characterized by the XRD, BET, and SEM techniques. The results demonstrate that the compressive strength of the various shaped tablets is greatly increased and capable of meeting the industrial requirements compared to the unshaped ZIF-8 and that the loss rate of speci fic surface areas was maintained at 10% after the addition of 10%(by mass) binder and 10%(by mass) solvent. The adsorption isotherms of CO2, CH4, C3H8, and C3H6 on powdery ZIF-8and the shaped tablets(T-shaped ZIF-8, C-shaped ZIF-8, and N-shaped ZIF-8) were determined through volumetric measurements under different pressures and temperatures(298.2, 323.2, and 348.2 K). The adsorption capacities of the gases on both the ZIF-8 powder and the shaped tablets follow the order C3H6 N C3H8N CO2 N CH4. Furthermore,the results show that the adsorption capacities of the gases on the shaped tablets are lower by approximately 10%–20% than those on the powdery ZIF-8. In fact, the adsorption equilibrium isotherms for CO2, CH4, C3H8, and C3H6 on both powdery and shaped ZIF-8 can be well described by the Langmuir equation. | 朱吉钦 江璐 代成娜 杨娜 雷志刚 | 2015 | Chinese Journal of Chemical Engineering2015，23，8： | 0 |
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