加氢裂化集总反应动力学模型研究

根据加氢裂化反应机理和反应特征，建立了通用性较强的加氢裂化集总动力学模型；采用序列二次规划方法进行参数估计，确定了反应动力学参数。研究结果表明，模型能很好地拟合实验数据，并具有良好的预测性能。     

化学气相沉积碳化钛的热力学和动力学研究

对采用ＴｉＣｌ４－ＣＨ４－Ｈ２反应体系化学气相沉积碳化钛的反应热力学和成核热力学因素进行了分析，并在实验的基础上研究了不同沉积温度下化学气相沉积ＴｉＣ过程的动力学特征，以及在不同的动力学控制机制下气相过饱和度的成核过程对ＴｉＣ涂层的析出形态的影响。在沉积过程中，气相过饱和度和动力学控制机制是控制沉积物的成核过程和析出形态的决定因素。     

Transport in simple dense fluids

A transport theory for Lennard-Jones (LJ) fluids is described. The underlying mean-field kinetic theory models the LJ potential by adding a hard-sphere core to the attractive tail of the LJ potential. The transport coefficients discussed here — shear viscosity, thermal conductivity, and self-diffusion coefficient — exhibit Enskog-like forms, but now the radial distribution function (rdf) bears explicit dependence on the LJ tail as well as on the hard-sphere core. The hardsphere diameter is determined according to the well-known WCA method used in equilibrium statistical mechanics to mimic the LJ fluid. Hence the transport theory employs no adjustable parameters. Numerical results are compared to simulation and experimental results for many states, including saturated liquid, triple point, and dense gas. In general, a quantitatively accurate transport theory is obtained for the states considered. This represents improvement, both numerically and conceptually, over an earlier theory.Paper presented at the Tenth Symposium on Thermophysical Properties, June 20–23, 1988, Gaithersburg, Maryland, U.S.A.     

不同软段结构对聚脲基氨酯扩链反应动力学的影响研究EI

用ＦＴ－ＩＲ法系统地研究了３种不同软段结构ＴＤＩ封端预聚物对聚脲基氨酯扩链反应动力学的影响。结果显示，不同软段结构的预聚体与ＭＯＣＡ的扩链反应均为二级反应，软段为ＰＣＬ的预聚体其扩链反应速率大大快于软段为ＰＥＰＡ或ＰＴＭＯ的预聚体，聚酯型软段结构（ＰＣＬ或ＰＥＰＡ）的预聚体其扩链反应活化能大大低于聚醚型（ＰＴＭＯ）预聚体，同时对上述结果的产生原因从理论上进行了讨论。     

STUDY OF GYROMONOTRON WITH A COMBINING PERIODIC MAGNETIC FIELD AND A COAXIAL CYCLOTRON ELECTRON BEAM

On the basis of a work of Wu Jianqiang et al.(1987),by making use of the linear kinetictheory,the gyromonotron with a combining periodic magnetic field and a coaxial cyclotron electron beam hasbeen analysed in detail.And the formulas of the electron beam to wave interaction power,frequency shift andstarting current,etc.have been derived.     

On the nature, capability and reversibility of hydrogen storage in novel carbon nanomaterials for mobile power units

On the basis of the thermodynamic analysis of most representative recent data on hydrogen storage in graphite and novel carbon-based nanomaterials of sp² hybridization, the open questions have been studied of the nature, capability and reversibility of such storage, particularly, for mobile power units. For an interpretation of the thermodynamic and kinetic (diffusion) characteristics obtained in such a way, the known results have been used of ‘ab initio’ molecular orbital study of adsorption of atomic hydrogen on graphite and carbon nanostructures.     

基于分批试验的工业球磨机粒级分布预测模型

针对具有强非线性、时滞和工况变化特点的球磨机出口矿浆粒级分布预测问题,提出一种基于分批试验结论的粒级质量平衡改进模型.根据某些粒级的矿料不符合一阶破碎动力学的分批试验结论改进了破碎率模型;考虑工况影响,建立了模型参数和工况变量间的最小二乘支持向量机(LSSVM)关系模型,由现场工况确定模型参数.仿真结果表明,该模型预测精度较高,可满足实际生产要求.     

不同污泥龄厌氧氨氧化菌的脱氮效能及其动力学特性

为研究不同污泥龄(SRT)条件下厌氧氨氧化菌的脱氮效能和动力学特性,采用一组SBR反应器研究梯度降低污泥龄过程中系统的NO2--N去除负荷(Nr)和NO2--N污泥负荷(Ns),并对各阶段厌氧氨氧化过程动力学特性进行分析.结果表明,污泥龄由21 d梯度降低到12 d,Nr由0.590 kg/(m3·d)降低到0.493 kg/(m3·d),单位MLVSS Ns由0.178 kg/(kg·d)提升到0.297 kg/(kg·d),系统整体的脱氮性能有所下降,但单位质量的厌氧氨氧化菌脱氮效率显著提升;采用莫诺(Monod)模型可以较好地模拟不同污泥龄运行阶段厌氧氨氧化菌的动力学行为,动力学分析表明,随着污泥龄的降低,NO2--N的最大比降解速率vmax由0.406 d-1提高到0.826 d-1,半饱和常数Ks由23.3 mg/L增加到95.3 mg/L,梯度降低污泥龄能够筛选纯化生长速率较快的厌氧氨氧化菌菌种,提升NO2--N的最大比降解速率,但厌氧氨氧化菌对底物的亲和性会逐渐变差,稳定性降低.     

Application of Full Factorial Design for Removal of Polycyclic Aromatic Dye from Aqueous Solution Using 4A Zeolite: Adsorption Isotherms,Thermodynamic and Kinetic Studies

In this study, removal of the cationic dye acridine orange (AO) from aqueous solution using 4A zeolite was studied. The adsorption experiments were performed using batch system, and full factorial design was employed for investigating the condition of removal efficiency of dye. The four most important operating variables were the initial pH of the solution, the concentration of dye, the contact time, and the temperature. The 18 experiments were required to investigate the effect of variables on removal of the dye. The results were statistically analyzed to define important experimental variables and their levels using the analysis of variance (ANOVA). A regression model that considers the significant main and interaction effects was suggested and fitted the experimental data very well. Model predictions were found to be in good agreement (R² = 99.99%, adjusted R² = 99.86%) with experimental data. The optimized conditions for dye removal were at initial pH 3.0, 20.0 mg L^?1 dye, temperature 298.0 K and 80.0 min adsorption time. The experimental data were analyzed by the Langmuir, Freundlich, Temkin and Sips adsorption models. The maximum predicted adsorption capacities for AO was obtained as 29.851 mg g^?1. The adsorption thermodynamic parameters, namely ΔH°_ads, ΔG°_ads and ΔS°_ads, were determined. Furthermore, the kinetic of AO adsorption on the 4A zeolite was analyzed using pseudo-first- and second-order kinetic models and the results showed that the removal was mainly a pseudo-second-order process.