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国家重点基础研究发展计划(2009CB219906)

作品数:11 被引量:66H指数:4
相关作者:杨伯伦蒋雪冬张海亮周小伟袁俊更多>>
相关机构:西安交通大学中国科学院过程工程研究所西安近代化学研究所更多>>
发文基金:国家重点基础研究发展计划国家自然科学基金国家教育部博士点基金更多>>
相关领域:化学工程自动化与计算机技术理学一般工业技术更多>>

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11 条 记 录,以下是 1-10
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磺化生物质基催化剂合成甘油醚被引量:2
2012年
以生物质基花生壳为原料,经部分碳化后磺化处理,制备了磺化花生壳催化剂,并采用扫描电子显微镜、能量色散谱、比表面分析、傅里叶变换红外光谱与热重分析进行了表征。实验结果表明,磺化花生壳催化剂具有无定型多孔结构,酸密度高,热稳定性好。在碳化温度723K、碳化时间15h、磺化温度483K、磺化时间10h条件下制备的磺化花生壳的酸度为2.07mmol/g。磺化花生壳催化剂用于甘油醚化反应,在异丁烯与甘油摩尔比为4∶1、催化剂与甘油的质量比为6%、反应温度343K、反应时间2h的条件下,甘油被完全转化为甘油醚混合物,包括一叔丁基甘油醚(MTBG)、二叔丁基甘油醚(DTBG)以及三叔丁基甘油醚(TTBG),目的产物DTBG与TTBG的选择性之和为92.1%,且催化剂可重复使用。
赵玮钦胡佳阳黄新鸣杨伯伦
关键词:甘油异丁烯甘油醚
Modeling and optimization for increasing propylene in FCC gasoline secondary reactions process based on LM/SVM method
<正>To improve the efficiency of parameters selection for support vector machines(SVM),a novel method of Levenb...
周小伟杨伯伦袁俊
关键词:PROPYLENE
文献传递
Dynamic analysis on methanation reactor using a double-input–multi-output linearized model
2015年
A double-input–multi-output linearized system is developed using the state-space method for dynamic analysis of methanation process of coke oven gas.The stability of reactor alone and reactor with feed-effluent heat exchanger is compared through the dominant poles of the system transfer functions.With single or double disturbance of temperature and CO concentration at the reactor inlet,typical dynamic behavior in the reactor,including fast concentration response,slow temperature response and inverse response,is revealed for further understanding of the counteraction and synergy effects caused by simultaneous variation of concentration and temperature.Analysis results show that the stability of the reactor loop is more sensitive than that of reactor alone due to the positive heat feedback.Remarkably,with the decrease of heat exchange efficiency,the reactor system may display limit cycle behavior for a pair of complex conjugate poles across the imaginary axis.
李星星李佳庚杨伯伦张勇
曳力模型对模拟鼓泡塔气含率的影响被引量:11
2010年
A transient two-phase and three-dimensional computational fluid dynamics(CFD)simulation within the Eulerian framework has been carried out to investigate the influence of drag models on the radial gas hold-up profile of a bubble column.The effect of the sparger modeling is investigated as well.It can be concluded that:(1)the approximate modeling method for the sparger in this work is capable of reasonably predicting the radial gas holdup profile;(2)the CFD simulation with the Tomiyama’s drag model differs little from the Ishii-Zuber drag model at the low superficial velocity,while at the high gas velocity,the former leads to an over-prediction of the gas hold-up profile;(3)the correction factor of drag coefficient has a larger influence on the radial gas holdup profiles for high superficial gas velocity than low velocity.
吴宗应杨宁
关键词:计算流体力学鼓泡塔分布板气含率
Preparation of Biodiesel Catalyzed by Solid Catalysts under Microwave Radiation
<正>1 Introduction Biodiesel is biodegradable and non-toxic and has low emission profiles compared to petroleum...
Hong Yuan and Bolun Yang~* and Chunhai Yin Department of Chemical Engineering
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Syntheses and Crystal Structures of [Na(H_2O)_(1/2)]X and NH_2(CH_2CH_3)_2X and Antioxidant Activity of the Former被引量:2
2009年
In order to enhance the water-solubility and biological utilization rate of chrysin, sodium 5,7-dihydroxylflavone-8-sulfonate (1, [Na(H2O)1/2]X, X = C15H9OSO3, 5,7-dihydroxylfla- vone-8-sulfonate) was synthesized and its structure was identified on the basis of NMR, FT-IR and elemental analysis. The assembly of 5,7-dihydroxylflavone-8-sulfonate with diethylamide cation afforded diethylamide 5,7-dihydroxylflavone-8-sulfonate (2, NH2(CH2CH3)2X) which was characterized by FT-IR and elemental analysis. The crystal structures of 1 and 2 were determined by X-ray single-crystal diffraction analysis. The crystal of 1 is of triclinic system, space group P1, with a = 8.5628(13), b = 12.8916(19), c = 13.562(2) A, α = 82.494(1), β = 78.601(2), γ = 84.033(2)°, C30H20Na2O15S2, Z = 2, Mr = 730.59, V = 1450.3(4) A3, Dc = 1.673 g/cm3, F(000) = 748, p = 0.295 mm^-1, the final R = 0.0641 and wR = 0.1458. The crystal of 2 crystallizes in the triclinic system, space group Pi, with a = 7.689(2), b = 11.184(3), c = 11.734(3) A, α = 74.268(3), βl = 81.751(4), γ= 87.991(3)°, C19H21NO7S, Z = 2, Mr= 407.43, V= 961.2(4) A3, Dc = 1.408 g/cm3, F(000) = 428, p = 0.210 mm^-1, the final R = 0.0484 and wR = 0.1195. In 1, the three-dimensional structure is organized into organic and inorganic regions; the flavone skeletons are stacked into organic regions by π...π staeking interactions; inorganic regions are generated by Na-O coordination bonds among sulfonate groups, coordinated water molecules and NaI. The sulfonate groups play an important role as a bridge of inorganic and organic regions. One-dimensional chain structure of 2 is extended by N-H…O hydrogen bonds and π...π stacking interactions. Furthermore, the antioxidant activity of 1 was evaluated. The scavenging activity of 1 to DPPH free radical is better than that of the parent compound chrysin.
刘彬杨伯伦
单相流动数值模拟的SIMPLE算法在GPU上的实现被引量:7
2010年
基于交错网格的SIMPLE算法,利用CUDA(compute unified device architecture)技术进行了图形处理器(GPU)上的直接数值模拟(DNS).将高雷诺数方腔流作为研究实例,在NVIDIA GTX295显卡的单个和4个GPU上的计算速度最高可分别达Intel Xeon5430CPU之单核的50和150倍,与其他模拟结果的对比表明了上述计算的合理性,并展示了采用GPU实现高精度大规模的湍流计算的前景.
王健许明葛蔚李静海
关键词:单相流动直接数值模拟CUDAGPU并行计算
Stability-driven Structure Evolution:Exploring the Intrinsic Similarity Between Gas-Solid and Gas-Liquid Systems
2012年
As the core of the Energy-Minimization Multi-Scale(EMMS) approach,the so-called stability condi-tion has been proposed to reflect the compromise between different dominant mechanisms and believed to be in-dispensable for understanding the complex nature of gas-solid fluidization systems.This approach was recently ex-tended to the study of gas-liquid bubble columns.In this article,we try to analyze the intrinsic similarity between gas-solid and gas-liquid systems by using the EMMS approach.First,the model solution spaces for the two systems are depicted through a unified numerical solution strategy,so that we are able to find three structural hierarchies in the EMMS model for gas-solid systems.This may help to understand the roles of cluster diameter correlation and stability condition.Second,a common characteristic of gas-solid and gas-liquid systems can be found by comparing the model solutions for the two systems,albeit structural parameters and stability criteria are specific in each system:two local minima of the micro-scale energy dissipation emerges simultaneously in the solution space of structure parameters,reflecting the compromise of two different dominant mechanisms.They may share an equal value at a critical condition of operating conditions,and the global minimum may shift from one to the other when the oper-ating condition changes.As a result,structure parameters such as voidage or gas hold-up exhibit a jump change due to this shift,leading to dramatic structure variation and hence regime transition of these systems.This demonstrates that it is the stability condition that drives the structure variation and system evolution,which may be the intrinsic similarity of gas-solid and gas-liquid systems.
陈建华杨宁葛蔚李静海
应用BP神经网络的二次反应清洁汽油辛烷值预测被引量:20
2010年
借鉴复杂反应动力学研究中的集总方法,将汽油辛烷值看成汽油链烷烃集总、环烷烃集总、芳烃集总、烯烃集总的函数.采用多元线性回归和BP神经网络算法,分别建立了二次反应清洁汽油的研究法辛烷值预测模型,并进行了实例计算验证和对比分析.结果表明,BP神经网络模型的整体性能优于多元线性回归模型,其强大的非线性映射能力能够更好地反映汽油研究法辛烷值与各集总组分之间的复杂关系,且具有更好的预测性能,模型预测值与实验测得的汽油辛烷值的平均相对误差为0.39%,与文献报道的汽油辛烷值的平均相对误差为0.92%.
周小伟袁俊杨伯伦
关键词:清洁汽油辛烷值多元线性回归BP神经网络
基于量子化学计算的BH_4^-水解制氢反应机理研究
2013年
采用密度泛函理论(DFT)和二阶微扰理论(MP2)对BH-4与两分子水反应制氢的微观机理进行了研究.在B3PW91/6-311++G(2df,2p)和MP2(full)/6-311++G(2df,2p)水平上优化了反应体系中所有反应物、中间体、过渡态和产物的几何构型,通过振动频率分析和内禀反应坐标(IRC)跟踪验证了过渡态的正确性.计算结果表明,反应生成氢气的过程是分四步进行,并存在两种可能的反应路径:路径1中,两分子的水分别在第一步、第三步参加反应;而路径2中,两分子的水分别在第一步、第二步参加反应;其中路径2的势垒比路径1低应为主反应路径.此外,两种反应路径都是强放热过程,且MP2法所得焓变值与所报道的实验值更接近.
张应李明涛杨伯伦
关键词:反应机理密度泛函理论二阶微扰理论
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