大型工业液相色谱分离山梨醇和甘露醇过程优化研究

本文采用非线性非平衡含轴向扩散色谱数学模型模拟山梨醇-甘露醇同分异构体系大型工业液相色谱分离过程。首先，通过对分离过程进行参数灵敏度分析，确定了被优参数为进料浓度和色谱柱柱长；然后，以山梨醇的产率为目标函数，限定山梨醇的产品纯度和最小回收率，利用改进的单纯形法对分离过程进行两参数优化，分析了不同进料量和流体线速对最优条件的影响。结果表明：进料量和流体线速对回收率和最大产率的影响程度与参数灵敏度分析结果基本一致，从而证明了利用参数灵敏度分析方法选择色谱分离过程被优参数的可行性。本文还对改进的单纯形法寻优过程进行了探讨，构造了单纯形法优化大型液相色谱的基本方法和框图。     

新型微填充柱-毛细管柱二维色谱系统的理论研究(Ⅱ)──双柱条件对柱效的影响

从色谱动力学角度探讨了改变微填充柱-毛细管柱二维色谱系统中双柱条件对柱效的影响规律,进一步证实了短填充柱接长毛细管柱及高预柱柱温、快预柱载气线速有利于提高双柱系统柱效的结论;同时,通过对主柱柱温、载气线速及柱间分流比的讨论,从理论和实验上也证实了相对较低的主柱柱温、较慢主柱线速以及稍大的分流比有益于柱效利用率的提高。     

液相制备吸附色谱流出峰对称性的若干影响因素

在色谱分离连续性方程和质量传递速率方程基础上,对色谱分离过程进行计算机模拟,定量分析了分离体系的热力学、动力学参数和操作条件对色谱流出峰形对称性的影响。结果表明,吸附相平衡关系、液固两相间的传质阻力及进料体积、进料浓度和流体线速等都将直接影响色谱流出峰形的对称性。流出峰形的不对称程度随着吸附等温线的非线性程度、液固两相间的传质阻力、流体线速、进料体积、进料浓度的增大而增大;在线性条件下,随着吸附剂吸附容量的减小而增大。     

气相色谱过程动力学研究-柱压降对色谱流出曲线的影响

本文在色谱质量平衡模型基础上,考虑到气相色谱过程中柱压降与载气线速的关系,建立了考虑柱压降的气液分配色谱质量平衡模型.通过数学变换的方法,得到了流出曲线一级矩及二级、三级中心矩的数学表达式.理论和实验均表明:溶质的保留时间,流出峰半峰宽与柱前压倒数近似呈线性关系;柱压降对柱效及峰形对称性也有影响.     

气相色谱过程动力学研究-柱压降对色谱流出曲线的影响

本文在色谱质量平衡模型基础上, 考虑到气相色谱过程中柱压降与载气线速的关系, 建立了考虑柱压降的气液分配色谱质量平衡模型。通过数学变换的方法, 得到了流出曲线一级矩及二级、三级中心矩的数学表达式。理论和实验均表明: 溶质的保留时间, 流出峰半峰宽与柱前压倒数近似呈线性关系; 柱压降对柱效及峰形对称性也有影响。     

SnO2水溶胶气-液界面纳米胶粒成膜过程

采用胶体化学法制得稳定的ＳｎＯ２纳米粒子溶胶。在ＬＢ膜槽内，用膜天平考察了溶胶在陈化和均速压缩过程中，气－液界面表面压力的变化。，并用布儒斯特色显微镜，直接观察了陈化过程中界面胶体粒子的片面成膜过程，和均速压缩过程中界面胶体粒子的压缩成膜过程。     

ICP-AES法测定钛合金中的铝、钒、钼、铁、锆

用ICP-AES法测定钛合金中的铝、钒、钼、铁、锆,研究了高频功率、雾化压力、辅助气流量、泵速对待测元素发射谱线强度的影响,优化的测定条件为：高频功率1150W,雾化压力165．7kPa,辅助气流量0．5L／min,泵速100r／rain。该法测定结果的相对标准偏差不大于1．2％,待测元素的回收率为98．0％～101．1％。     

气液并流向上三相流化床流体流动性质的研究

本文研究气液并流向上兰相流化床的一般流体流动性质。阐明了不同性质及粒度的固体颗粒、流化床静止床高、气体及液体的表观线速、气体分布板结构等参数对床层的均匀性、气体及液体滞留量、床层膨胀高度及气泡形态及大小等影响的一般规律。提出了在液固两相流化床中通入气体后,床层膨胀比随着气体速度的增大而变化的规律具有五种不同类型。用气泡上升的平均真实速度V_g/ε_g作为V_g及V_L的函数作图,可以表明气体及液体的表观线速对气体滞留量及气泡大小的影响,并用在流化床上部的照片直观地表明了这一点。最后用关联式将本文数据进行关联,误差在±10%以内。     

液相分散程度对气/液/固多相体系腐蚀行为的影响

本文提出用三相线界面区参数描述液相分散程度,研究了三相线界面区阴极过程特征,建立三相线界面区阴极过程模型.并探讨了液相覆盖区阴极极限电流和三相线区状态的相关性,证实了模型计算与实验数据一致性.进而用三相线界面区阴极过程模型分析液相分散程度对大气以及砂土体系腐蚀行为的影响.     

几种PET切片和丝的DSC表征

在过去研究PET的热历史对其玻璃化、冷结晶、熔化和冷却结晶影响的基础上,本文结合生产实际通过从不同厂家PET切片的DSC曲线特征,推测各种切片所经历的热过程。从同一家厂PET切片纺制的不同纺速的PET丝的DSC曲线恃征,了解纺速对其热行为的影响。从不同厂家PET切片以相同纺速纺制的POY的DSC曲线特征,了解不同切片对其热行为的影响。借以为PET切片和丝的生产控制提供相应的依据。     

Optimisation-based simulation of a pressure swing adsorption process

In this paper, an optimisation-based approach is developed for the determination of the cyclic steady-sate (CSS) of a pressure swing adsorption process (PSA). It consists in treating the simulation problem as a single dynamic optimisation problem where the performance index is the CSS condition, the decision variables are the state variables at the start of the cycle and the constraints are given by the process model equations with associated initial conditions. The resulting optimisation problem is solved using a gradient-based non linear programming (NLP) method, e.g. SQP method, where the gradients are computed by means of four different methods: finite differences, numerical and analytical sensitivities and adjoint system methods.     

Optimizing the relationship between chromatographic efficiency and retention times in temperature‐programmed gas chromatography

A methodology that can maximise the chromatographic efficiency that can be achieved within a defined time frame in temperature‐programmed gas chromatography is described. The efficiency can be defined as the inverse of peak widths measured in retention index units. This parameter can be described by a model similar to the van Deemter equation, which is expanded to account for the effect of the temperature rate in addition to the effect of carrier gas velocity. The model of efficiency is found by response surface methodology, where the temperature rates and the carrier gas velocities are systematically varied in the experiments. A second model that accurately explains the retention time of the last eluting compound can be found from the same experiments, and optimal conditions are found by combining the two models. The methodology has been evaluated with four capillary columns and three carrier gases, using fatty acid methyl esters as analytes. All experiments showed that there is a fairly linear decrease in efficiency with increasing temperature rates. At any temperature rate, optimal velocity is only marginally higher than the velocity that maximises chromatographic efficiency, since the carrier gas velocity has a limited effect on the retention times.     

A New Numerical Method for Accurate Simulation of Fast Cyclic Adsorption Processes

In the simulation of fast cyclic adsorption processes, to apply the Fickian diffusion model it is necessary to include an increasing number of numerical discretization points as the cycle time is reduced in comparison to the characteristic diffusional time constant. We propose a new numerical method based on the definition of two distinct regions within an adsorbent particle: an outer layer where the concentration varies significantly with large internal gradients leading to enhanced mass fluxes, and an internal region where the concentration profile is virtually flat. The proposed method leads to the automated generation of a numerical grid that has a constant number of elements independent of the process cycle time. The procedure is demonstrated on a model for the simulation of a heatless dryer pressure swing adsorption process.     

Electroanalytical investigations: Part VI. The simulation of fast chemical equilibrium reactions in cyclic voltammetric reaction-diffusion models with spline collocation

Theoretical cyclic voltammograms resulting from EC and CE reaction-diffusion models have been generated using a spline collocation procedure. Dimensionless rate constants up to 10⁶ imposed no numerical problems when a backward diffentiation algorithm was used to integrate the systems of ordinary differential equations resulting from spatial discretization of the model equations. The boundary conditions are calcultated as unknowns of a system of linear equations, thus reducing the complexity of the derivations. The calculation results are verified by comparison to limiting cases and to results from classical simulation techniques.     

Numerical studies of vertically propagating acoustic and magnetoacoustic waves in an isothermal atmosphere (III)

In this paper we investigate, numerically, the generation and propagation of acoustic and magnetoacoustic waves and their roles in the heating process of the chromosphere. The combined effects of viscosity, thermal conduction and a uniform horizontal magnetic field on an upward and a downward propagating wave in an isothermal atmosphere are considered. It is shown that when the heating mechanisms are dominated by the effects of thermal conduction.

The chromosphere atmosphere can be divided into three distinct regions, low, middle and high. The middle region acts like a semitransparent transition layer and it is produced by thermal conduction and connects middle and high chromosphere. In the transition region part of the energy transmitted upward, part is dissipated and the other part is reflected downward. Moreover, viscosity creates an absorbing and reflecting layer and the magnetic field forms a totally reflecting barrier because of its dissipationless nature. When the combined effects of the viscosity and magnetic field dominated the oscillatory process, thermal conduction can be eliminated because the solution decays exponentially with altitude before the effects of thermal conduction take place.

The formulation of the model leads to a system of differential equations of the velocity and temperature and it will be used for the numerical solutions, and for the analytical solutions we have a fourth order differential equation. The differential equations in both cases are linear but with exponential coefficients. Approximate and exact solutions of the mathematical model are studied, in low, middle, and high chromospheres, both numerically and analytically. The analysis of both studies is in complete agreement with previously observed and reported results and conclusions about the heating process of the chromosphere. The results of the numerical solutions are discussed in connection with the heating mechanisms of the three regions of the chromosphere. Finally, the case where the values of thermal conduction, viscosity and magnetic field are arbitrary is considered.     

Numerical and theoretical study on the mechanism of biopolymer translocation process through a nano-pore

We conducted a numerical study on the translocation of a biopolymer from the cis side to the trans side of a membrane through a synthetic nano-pore driven by an external electric field in the presence of hydrodynamic interactions (HIs). The motion of the polymer is simulated by 3D Langevin dynamics technique using a worm-like chain model of N identical beads, while HI between the polymer and fluid are incorporated by the lattice Boltzmann equation. The translocation process is induced by electrophoretic force, which sequentially straightens out the folds of the initial random configuration of the polymer chain on the cis side. Our simulation results on translocation time and velocity are in good quantitative agreement with the corresponding experimental ones when the surface charge on the nano-pore and the HI effect are considered explicitly. We found that the translocation velocity of each bead inside the nano-pore mainly depends upon the length of the straightened portion of the polymer in forced motion near the pore. We confirmed this by a theoretical formula. After performing simulations with different pore lengths, we observed that translocation velocity mainly depends upon the applied potential difference rather than upon the electric field inside the nano-pore.     

Elliptic solution to the Young-Laplace differential equation

The Young-Laplace equation differential form can be solved under the elliptic representation for a fluid-fluid interface in the range 0 相似文献   

毛细管电泳样品电堆积富集过程的数值研究

毛细管电泳样品电堆积富集过程可以浓缩样品组分,从而提高检测灵敏度,是一种有效的样品富集技术。本文通过合理的简化和假设,把毛细管中电堆积富集过程中所涉及的主要变量根据电势分布方程、缓冲溶液的浓度方程和样品粒子的质量传输方程进行耦合求解,建立了一个一维的数学模型,并应用有限元的方法对该模型进行了求解。计算结果给出了毛细管中缓冲溶液浓度及电场强度的分布随时间变化的过程,以及富集过程中毛细管中的电势分布曲线;得到了样品粒子浓度在电堆积富集过程和富集之后的再次扩散过程中的分布曲线以及正、负样品粒子的分离过程;最后分析了不同缓冲溶液浓度比对样品富集效果的影响。该研究为样品电堆积富集技术的进一步完善提供了一种简单可行的理论研究方法。     

Significance of fluid regime and wetted area in biofilm reactors

Mass transfer within microbial films was described using Monod-type biological kinetics in terms of properties of filter media and feed solution. The performance characteristics of a trickling filter were thus modeled. The model enables one to consider the effect of inlet substrate concentration and flow rate upon the removal efficiency. For this purpose a second-order partial differential equation describing the dispersion phenomena inside the liquid layer was solved under special boundary conditions and used to determine substrate flux into the biofilm. A uniform biofilm thickness was considered. The model is based on computer techniques and the numerical evaluation of the normalized biofilm mathematical model. A design procedure was also given to calculate biological filters. The numerical model was also applied to experimental data to demonstrate its validity.