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1. Study of air debromination process and Br2 equilibrium concentration during the preparing course of liquid salt from brine waste of desalination plants | |||
Guo Xiaojun,Yuan Junsheng,Liu Xuezhong,Li Hong,Wang Jun,Zhao Yingying,Yang Chaopeng | |||
Chemical Engineering 09 December 2014 | |||
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Abstract:In this paper process conditions of debromination are investigated and equilibrium concentration of Br2 is analyzed at normal temperatures and pressures for brine waste of desalination plants. Effects of equilibrium concentration of Br2 on different temperature and pressure have been studied by process simulation. The results show air feed rate has an impact on the removal rate of Br2, the greater flow rate of air; the shorter time to achieve the balance of debromination is needed. On the other hand, the smaller flow rate of air needs the more time. It's no effect of flow rate of air on the equilibrium concentration of Br2 in brine. The higher operation temperature, the lower equilibrium concentration of Br2 can be achieved, so high temperature is good for debromination of brine waste. The lower the operating pressure is in favor of removal of Br2, however, the operating pressure has less affected on equilibrium concentration of Br2 than the operating temperature. | |||
TO cite this article:Guo Xiaojun,Yuan Junsheng,Liu Xuezhong, et al. Study of air debromination process and Br2 equilibrium concentration during the preparing course of liquid salt from brine waste of desalination plants[OL].[ 9 December 2014] http://en.paper.edu.cn/en_releasepaper/content/4622736 |
2. Bubble formation and breakup dynamics in highly viscous fluids in a microfluidic flow-focusing device | |||
Fu Taotao,Ma Youguang | |||
Chemical Engineering 20 November 2014 | |||
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Abstract:Bubbles are always encountered in multiphase microfluidics and have potential applications in chemical engineering, energy utilization, and biochemical engineering. This article reports breakup dynamics for bubble formation in a viscous liquid in a microfluidic device by using a high speed camera. The bubbles are generated at the cross-junction of the flow-focusing device, and all of the microchannels in the device are square with 400 μm in width. The bubble formation process can be devided into the retraction stage, the expansion stage, the collapse stage and the final breakup stage. The volume of the gaseous thread propagates linearly with time with a greater speed after 20ms. The thinning of the gaseous thread experiences two distinct period: one is nonlinear and the other one is linear. The variation of the minimum width of the gaseous neck with the remaining time before the final breakup can be scaled as a power-law relation with an exponent 0.5238, when the minimum width of the gaseous neck is larger than 20μm. While the breakup of the long and slender gaseous thread with its width less than 20μm is controlled by the surface tension and the exterior viscous forces, and the gaseous neck thins linearly with time with a contant radial velocity close to the theoretical value of σ/(2μl). | |||
TO cite this article:Fu Taotao,Ma Youguang. Bubble formation and breakup dynamics in highly viscous fluids in a microfluidic flow-focusing device[OL].[20 November 2014] http://en.paper.edu.cn/en_releasepaper/content/4619269 |
3. Effect of ligand-based functionalization on aromatics adsorption and separation in zirconium-based metal-organic frameworks: A computational study | |||
WU Ying,LIU Defei,QIAN Yu,XI Hongxia | |||
Chemical Engineering 04 November 2014 | |||
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Abstract:The adsorption and separation properties of benzene and toluene on the zirconium-based frameworks UiO-66, -67, -68 and their functional analogues UiO-Phe and UiO-Me2 were studied using grand canonical Monte Carlo (GCMC) simulations, density functional theory (DFT) and ideal adsorbed solution theory (IAST). Remarkable higher adsorption uptakes of benzene and toluene at low pressures on UiO-Phe and -Me2 were found compared to their parent framework UiO-67. It can ascribed to the presence of functional groups (aromatic rings and methyl groups) that significantly intensified the adsorption, majorly by reducing the effective pore size and increasing the interaction strength with the adsorbates. While pore volumes and accessible surfaces of the frameworks turned to be the dominant factors governing the adsorption at high pressures. In the case of toluene/benzene separation, toluene selectivities on UiOs showed a two-stage separation behavior at the measured pressure range, resulting from the greater interaction affinities of toluene at low pressures and steric hindrance effects at high pressures. Additionally, the enhanced π delocalization and suitable pore size of UiO-Phe corporately gave rise to the highest toluene selectivity, suggesting the ligand functionalization strategy could reach both high adsorption capacity and separation selectivity from aromatic mixtures at low concentrations. | |||
TO cite this article:WU Ying,LIU Defei,QIAN Yu, et al. Effect of ligand-based functionalization on aromatics adsorption and separation in zirconium-based metal-organic frameworks: A computational study[J]. |
4. One-step photocatalysis-assisted adsorptive desulfurization of diesel over doped-TiO2 under ambient conditions | |||
WANG Xun,XIAO Jing | |||
Chemical Engineering 12 September 2014 | |||
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Abstract:One-pot photocatalysis-assisted adsorptive desulfurization (ADS) of diesel by using bi-functional doped-TiO2 adsorbents with molecular oxygen in air under ambient conditions was developed, which achieved high ADS capacity of 1.89 mg-S/g-Ads. The developed approach provides a new path for ultra-clean fuel production. | |||
TO cite this article:WANG Xun,XIAO Jing. One-step photocatalysis-assisted adsorptive desulfurization of diesel over doped-TiO2 under ambient conditions[OL].[12 September 2014] http://en.paper.edu.cn/en_releasepaper/content/4609616 |
5. Li-doped Copper-based Metal-organic Frameworks for Methanol Adsorption: A computational study | |||
WU Ying,LIU Defei,XI Hongxia | |||
Chemical Engineering 03 September 2014 | |||
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Abstract:GCMC simulations combined with density functional theory (DFT) calculations were performed to evaluate the functionality effect of Li-doping on methanol adsorption over copper-based metal-organic frameworks (MOFs). Compared to the original Cu-BTC, Cu-BTC-Li shows higher methanol capacity and more continuous adsorption behavior in the measured pressure range. It can be attributed to the new adsorption sites (Li-sites) created by Li atoms, which turn to be the first preferential adsorption sites instead of Cu-sites. Li-doping also shows varied effects on methanol adsorption at different pressures. The electrostatic interaction between methanol-framework plays predominant role (with contribution over 95%) in the adsorption at low pressures, and Li-doping enhances adsorption by increasing the electrostatic potential of the framework. Whereas the adsorption is governed by dispersive interactions at high pressures, which can be improved by Li-doping through sterically compressing the adsorption space in the cages.????? | |||
TO cite this article:WU Ying,LIU Defei,XI Hongxia. Li-doped Copper-based Metal-organic Frameworks for Methanol Adsorption: A computational study[J]. |
6. Confined Synthesis of Silicalite-1 Hollow Spheres with a Lamellar Shell | |||
CHEN Huiyong | |||
Chemical Engineering 09 August 2014 | |||
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Abstract:A novel synthesis strategy with integrated using soft/hard templates was proposed for the confined synthesis of silicalite-1 hollow spheres with a lamellar shell. Replicated from macroporous carbon templates and directed by multi-quaternary ammonium surfactants, the silicalite-1 spheres demonstrated unique hollow nanoshell morphology, high crystallinity, and novel hierarchical porosity consisted of hollow macropores, interlamellar mesopores and ordered micropores in zeolites. | |||
TO cite this article:CHEN Huiyong. Confined Synthesis of Silicalite-1 Hollow Spheres with a Lamellar Shell[J]. |
7. Fracture mechanism of amorphous polyethylene at strain fields | |||
Huang Lan,Cao Dapeng | |||
Chemical Engineering 30 July 2014 | |||
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Abstract:Owing to the wide application of polymeric materials, understanding the fracture mechanism of amorphous polymer at strain fields is a fundamentally important challenge. In this work, we use molecular dynamics simulations to investigate the uniaxial deformation of amorphous polyethylene and to monitor the polyethylene fracture process induced by stretching. Results indicate that the polyethylene systems with a molecular weight ranging about 600-800 united atoms per chain exhibit the fracture behavior at T<200 K and the strain of 1.0. Further study shows that in the stretching process, the disentanglement and orientation of chains lead to the formation of small cavities in the middle region of the system, and the small cavities subsequently form a large hole, leading to the fracture of the whole system. Definitely, the fracture is determined by the two factors of mobility and entanglement of chains. The polyethylene systems with high chain mobility or high chain entanglement do not fracture. Finally, a schematic diagram is put forward to illustrate the fracture behavior. | |||
TO cite this article:Huang Lan,Cao Dapeng. Fracture mechanism of amorphous polyethylene at strain fields[OL].[30 July 2014] http://en.paper.edu.cn/en_releasepaper/content/4605105 |
8. A Process Modeling of Bio-oil production By Fast Pyrolysis In Aspen Plus | |||
Wang Gaoen,Sun Peiqin | |||
Chemical Engineering 02 July 2014 | |||
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Abstract:This study develop a novel models for assessment of the conversion of biomass to valuable fuel products via fast pyrolysis. The simulation includes the pretreatment of the biomass, the pyrolysis reactor, and a combustion reactor. Simulating the each part of the process with the capacity of 2000t/d corn stover, the results show that energy consumption for the whole process is 468.73×109J/h and the generated energy is 531.6×109J/h,which means that energy generated was greater than the energy consumption; the energy consumption of product 1kg bio-oil is equivalent to 0.75883kg standard coal, while the energy generation was 0.8606kg standard coal. | |||
TO cite this article:Wang Gaoen,Sun Peiqin. A Process Modeling of Bio-oil production By Fast Pyrolysis In Aspen Plus[OL].[ 2 July 2014] http://en.paper.edu.cn/en_releasepaper/content/4603129 |
9. Effect of the rare earth elements on the structure and catalytic oxidative desulfurization activities of phosphomolybdic acid loaded on silica | |||
QIU Jianghua,WANG Guanghui,WANG Ning | |||
Chemical Engineering 10 June 2014 | |||
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Abstract:The catalysts of phosphomolybdic acid loaded on silica and modified with La3+, Ce3+ and Pr3+ respectively were prepared by the sol-gel method and characterized by FT-IR, XRD and pore structure parameters analysis. The oxidative desulfurization of model fuel oil catalyzed by the catalysts have been studied under the mild condition. Results show that the catalysts kept integrity Keggin structures, the active centers of phosphomolybdic acid were greatly scattered and the pore size and specific surface area were increased obviously after modification. The catalytic oxidative reactions of dibenzothiophene (DBT) were accorded with the apparent first-order kinetics, and the apparent activation energies of DBT catalyzed by La-Mo/SiO2, Ce-Mo/SiO2 and Pr-Mo/SiO2 were 30.29 kJ/mol, 33.41 kJ/mol and 35.15 kJ/mol, respectively. | |||
TO cite this article:QIU Jianghua,WANG Guanghui,WANG Ning. Effect of the rare earth elements on the structure and catalytic oxidative desulfurization activities of phosphomolybdic acid loaded on silica[J]. |
10. Lattice Boltzmann simulation of the lateral migration of a particle in constant shear flow | |||
LIU Malin | |||
Chemical Engineering 01 May 2014 | |||
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Abstract:The lateral migration of a particle in constant shear flow was investigated using the 3D lattice Boltzmann method. Relationships between particle rotation velocity, lateral velocity, equilibrium lateral position and wall velocity were analyzed and the slip velocity was discussed. Lateral forces, including shear lift force, rotational lift force and lateral drag force, were calculated from the simulation results. The total lateral force changed sign before reaching the equilibrium position. The shear lift force and lateral drag force were much larger than the rotation lift force. The balance between them determined the particle equilibrium lateral position. A new correlation for the shear lift force is proposed by analogy with Saffman's expression. | |||
TO cite this article:LIU Malin. Lattice Boltzmann simulation of the lateral migration of a particle in constant shear flow[OL].[ 1 May 2014] http://en.paper.edu.cn/en_releasepaper/content/4591622 |
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