Simulation of two- and three-dimensional internal subsonic flows using a finite element method

In this paper a finite element method is presented to predict internal subsonic flows. Using a low-Mach-number approximation, the pressure is decomposed into a mean thermodynamic contribution and a dynamic fluctuation to deal with the complex role of the pressure in internal aerodynamics. A semi-implicit time integration and a finite element method with a moving mesh are described to take into account complex geometries and moving boundaries. An Uzawa algorithm accelerated by a preconditioned residual method is introduced to solve the coupled non-symmetric linear system for the velocity components and the pressure. An efficient conjugate gradient method combined with an incomplete LU preconditioning is used to solve the non-symmetric linear systems arising from the discretization. The implementation of the numerical scheme on parallel supercomputers is also discussed. Efficient algorithms for the finite element assembly phase and for the solution of linear systems are described which take advantage of the parallel architecture of the new generation of supercomputers. With this technique a global speed-up of 10 is achieved on a supercomputer with eight processors. To illustrate the capabilities of the numerical method, 2D and 3D simulations of flows in the combustion chamber of a reciprocating engine and around the combustor dome of a gas turbine engine are presented.     

移动床除尘过程数学模型建立及机理讨论

在C.Tien固定床深层过滤数学模型基础上，通过引入移动床除尘比沉积率σ概念并考虑惯性碰撞、拦截、重力沉降、扩散机理的作用，建立了完整的颗粒移动床深层过滤过程数学模型，以此为基础结合工程应用中实测的粉尘数据范围计算了除尘效率，详细讨论了各种除尘机理及操作条件对除尘效率的影响。     

Two-fraction and three-fraction continuous simulated moving bed separation of nucleosides

A new experimental set-up and a new simulated moving bed (SMB) operation are presented in this work. A desktop SMB unit developed as a modification of the commercial AKTA explorer working platform has been utilized for the separation of different mixtures of nucleosides. Both two fraction and three fraction SMB separations have been carried out, the latter made possible by the adoption of a new SMB configuration and operating mode (three fraction SMB, 3F-SMB, operation). Experiments demonstrate the feasibility of the 3F-SMB operation, and confirm the trends predicted based on considerations about retention of the components to be separated along the unit.     

Chiral separation and modeling of the three-chiral-center beta-blocker drug nadolol by simulated moving bed chromatography

Nadolol, a beta-blocker used in the management of hypertension and angina pectoris, has three chiral centers and is currently marketed as an equal mixture of its four stereoisomers. Resolution of three of the four stereoisomers of nadolol was obtained previously by HPLC, with a complete separation of the most active enantiomer (RSR)-nadolol, on a column packed with perphenyl carbamoylated beta-cyclodextrin (beta-CD) immobilized onto silica gel. In this study, continuous separation of the target enantiomer of (RSR)-nadolol from its racemic mixture (which is a ternary mixture in the chromatographic system) was studied by non-linear SMB chromatography. Different regions of (2, 3) and (1, 2) complete separation regime were determined in the (m2, m3) region and the effect of non-linearity such as overall feed concentration and component composition on the separation performances was investigated. A direct simulation approach has been proposed to simulate the SMB separation performance for the pseudo-binary mixture of nadolol. The simulation was conducted on the basis of a shortcut method constituted only of the weak-key and strong-key components. The performance of the cyclic steady-state behavior of the SMB unit was predicted reasonably well. It was also discussed quantitatively that the complete separation region obtained from the shortcut method is a subset of the true complete separation region and the optimal separation conditions obtained differed slightly from the "true" separation.     

Optimizing control of simulated moving beds--experimental implementation

The operation of simulated moving beds (SMBs) at their optimal operating conditions is difficult and not robust. Therefore, it is common practice to operate SMB units far from their economic optimum in order to tolerate uncertainties in the system and minimize the effect of disturbances. Recently, we have proposed an on-line optimization based SMB control scheme that allows to exploit the full economic potential of SMB technology. The goal of this work is two-fold. Firstly, to experimentally evaluate and demonstrate the capability of the controller to optimize and operate the SMB units, thus delivering the products with maximum productivity and minimum solvent consumption. Secondly, to show the suitability of the controller even using a minimum of system information, thus making the detailed isotherm measurements redundant and saving time in the separation design phase. This paper reports and discusses the first experimental implementation of the control concept on a high purity separation of nucleosides (uridine, guanosine) with an eight-column four-section SMB where the species to be separated are retained on the source 30RPC stationary phase according to a linear isotherm.     

移动子窗口搜索法在紫丁香挥发油气相色谱-质谱分析中的应用

基于气相色谱-质谱仪产生的二维数据，采用移动子窗口搜索法，以纯组分峰为标准对同一样品在不同色谱柱上或不同样品在相同色谱柱上所获得的总离子流图的一定保留时间范围内搜索，可以得到目标化合物的流出区域，取其中点作为保留时间，从而计算各化合物在不同极性色谱柱上的程序升温保留指数。采用GC-MS与色谱保留指数相结合的方法，分别在HP-5MS和DB-35MS柱上，于80℃～290℃（4℃／min）的升温程序下，对黑龙江产紫丁香花蕾与花挥发油的分析结果表明，辅以化学计量学方法和双柱色谱保留指数定性比单用GC-MS定性结果更加快速可靠。     

Selective removal of interference signals for near-infrared spectra of biomedical samples by using region orthogonal signal correction

New approach for chemometrics algorithm named region orthogonal signal correction (ROSC) has been introduced to improve the predictive ability of PLS models for biomedical components in blood serum developed from their NIR spectra in the 1280-1849 nm region. Firstly, a moving window partial least squares regression (MWPLSR) method was employed to locate the region due to water as a region of interference signals and to find the informative regions of glucose, albumin, cholesterol and triglyceride from NIR spectra of bovine serum samples. Next, a novel chemometrics method named searching combination moving window partial least squares (SCMWPLS) was used to optimize those informative regions. Then, the specific regions that contained the information of water, glucose, albumin, cholesterol and triglyceride were obtained. When an interested component in the bovine serum solution, such as glucose, albumin, cholesterol or triglyceride is being an analyte, the other three interests and water are considered as the interference factors. Thus, new approach for ROSC has employed for each specific region of interference signal to calculate the orthogonal components to the concentrations of analyte that were removed specifically from the NIR spectra of bovine serum in the region of 1280-1849 nm and the highest interference signal for model of analyte will be revealed. The comparison of PLS results for glucose, albumin, cholesterol and triglyceride built by using the whole region of original spectra and those developed by using the optimized regions suggested by SCMWPLS of original spectra, spectra treated OSC for orthogonal components of 1-3 and spectra treated ROSC using selected removing the highest interference signals from the spectra for orthogonal components of 1-3 are reported. It has been found that new approach of ROSC to remove the highest interference signal located by SCMWPLS improves of the performance of PLS modeling, yielding the lower RMSECV and smaller number of PLS factors.     

Convection-diffusion of solutes in dynamic media

We investigate convective-diffusive transport of a solute through a medium with properties that can be externally modulated in space and time. In particular, we focus on the effect of a front—a sharp transition in the convective velocity (v) and diffusivity (D)—on the evolution of the solute concentration profile. Numerical results show that by suitably moving the front during the process an anti-dispersive effect may be realized, in which the solute accumulates in a thin region close to the moving boundary. Our computations take into account the realistic case of a front having a small but finite thickness, and we find that the width of the concentration profile scales as , where Pe is the Péclet number. This is in sharp contrast to the 1/Pe scaling observed for the ideal case of the singular front assumed in previous work. The effect of the thickness of the front and the magnitude of the drop inv andD, on the solute concentration profile has also been studied. These results are relevant in order to implement and optimize protocols that apply an externally controlled moving boundary for the purpose of separation. We also present experimental results characterizing solute transport across a stationary front, expected to display many features needed in a model for moving fronts. The concentration profile of electrophoretically mobile BSA-FITC within the boundary layer at a polyacrylamde gel-buffer interface were visualized by epifluorescence microscopy. Measured boundary layer thickness exceeded that predicted for even a finite interface, indicating that the length scale associated with real boundaries is relevant to the modeling problem.     

ALTERING CONNECTIVITY WITH LARGE DEFORMATION MESH FOR LAGRANGIAN METHOD AND ITS APPLICATION IN MULTIPLE MATERIAL SIMULATION

A new approach for treating the mesh with Lagrangian scheme of finite volume method is presented. It has been proved that classical Lagrangian method is difficult to cope with large deformation in tracking material particles due to severe distortion of cells, and the changing connectivity of the mesh seems especially attractive for solving such issues. The mesh with large deformation based on computational geometry is optimized by using new method. This paper develops a processing system for arbitrary polygonal unstructured grid, the intelligent variable grid neighborhood technologies is utilized to improve the quality of mesh in calculation process, and arbitrary polygonal mesh is used in the Lagrangian finite volume scheme. The performance of the new method is demonstrated through series of numerical examples, and the simulation capability is efficiently presented in coping with the systems with large deformations.