Description of the thermodynamic properties and fluid-phase behavior of aqueous solutions of linear,branched, and cyclic amines

The SAFT-γ Mie group-contribution equation of state is used to represent the fluid-phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH₂, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine-amine groups (cCHNH, cCHN) with water (H₂O). The group-interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group-contribution nature of the method, one can describe the fluid-phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT-γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid-phase behavior.     

Adaptive robust boundary control of shaft vibrations under perturbations with unknown upper bounds

This paper presents robust and adaptive boundary control designs to stabilize the two‐dimensional vibration of hybrid shaft model. The hybrid shaft is mathematically represented by a set of partial differential equations, governing the shaft vibrations, coupled to ordinary differential equations, describing rigid body spinning and dynamic boundary conditions. The control objective is to stabilize the transverse vibrations of the perturbed shaft while regulating the spinning rate. To achieve this, the paper first establishes robust boundary control laws that fulfil the control objective in the presence of modeling uncertainties and external disturbances operating over the shaft domain and boundary. Lyapunov‐based analyses show that the proposed robust control exponentially stabilizes the shaft with vanishing distributive perturbations, while assuring ultimately bounded vibrations in the case of nonvanishing perturbations. Then, adaptive control philosophy is utilized to achieve redesigned robust controllers that only use online adaptation of control gains without acquiring the knowledge of bounds on perturbations, as well as dynamic parameters. An advantage of this design is avoiding an overconservative robust control law, which may induce poor stability and chattering in tackling system perturbations with unknown upper bounds. Simulations through finite element method illustrate the results. Copyright © 2014 John Wiley & Sons, Ltd.     

Chemical-Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein: Recognition Comes in Different Flavors

Bile acids have been reported as important cofactors promoting human and murine norovirus (NoV) infections in cell culture. The underlying mechanisms are not resolved. Through the use of chemical shift perturbation (CSP) NMR experiments, we identified a low-affinity bile acid binding site of a human GII.4 NoV strain. Long-timescale MD simulations reveal the formation of a ligand-accessible binding pocket of flexible shape, allowing the formation of stable viral coat protein–bile acid complexes in agreement with experimental CSP data. CSP NMR experiments also show that this mode of bile acid binding has a minor influence on the binding of histo-blood group antigens and vice versa. STD NMR experiments probing the binding of bile acids to virus-like particles of seven different strains suggest that low-affinity bile acid binding is a common feature of human NoV and should therefore be important for understanding the role of bile acids as cofactors in NoV infection.     

Flame Front Deformation Instabilities of Filtration Combustion for Initial Thermal Perturbation

The flame front deformation instability of low-velocity filtration combustion within an inert packed bed is studied based on the initial preheating non-uniformity. Based on the experimental phenomena, an initial thermal perturbation model is numerically proposed so as to predict the deformation behaviors of the flame front instabilities. The numerical prediction indicates that the assumption of an initial thermal perturbation is a feasible explanation as the cause of the flame front inclination instability. As the initial thermal perturbation increases, the phenomena of the flame front break and shrinking instabilities could easily occur at high filtration velocity or low equivalence ratio. Moreover, the evolutions of the flame front break rate and the shrinking rate are quantitatively analyzed.     

A comparison of transformation methods for evaluating two‐dimensional weakly singular integrals

Accurate numerical evaluation of integrals arising in the boundary element method is fundamental to achieving useful results via this solution technique. In this paper, a number of techniques are considered to evaluate the weakly singular integrals which arise in the solution of Laplace's equation in three dimensions and Poisson's equation in two dimensions. Both are two‐dimensional weakly singular integrals and are evaluated using (in a product fashion) methods which have recently been used for evaluating one‐dimensional weakly singular integrals arising in the boundary element method. The methods used are based on various polynomial transformations of conventional Gaussian quadrature points where the transformation polynomial has zero Jacobian at the singular point. Methods which split the region of integration into sub‐regions are considered as well as non‐splitting methods. In particular, the newly introduced and highly accurate generalized composite subtraction of singularity and non‐linear transformation approach (GSSNT) is applied to various two‐dimensional weakly singular integrals. A study of the different methods reveals complex relationships between transformation orders, position of the singular point, integration kernel and basis function. It is concluded that the GSSNT method gives the best overall results for the two‐dimensional weakly singular integrals studied. Copyright © 2002 John Wiley & Sons, Ltd.     

基于系统矩阵有序实Schur分解的模型降阶

对复杂高阶系统进行模型简化，为研究与设计系统提供了方便的条件。对系统模型的降阶是控制系统设计与仿真工作者的一个重要研究课题，对高阶复杂系统的分析、设计、仿真等具有重要的理论意义和工程实用价值。针对目前比较成熟的基于系统矩阵的有序实Schur分解方法，提出了采用时矩输出拟合来改善降阶系统输出响应逼近程度的改进方法，从而使简化模型具有输出误差更小、计算简便等优点，通过给出的实例仿真证实了这一点。     

A note on the Gauss-Jacobi quadrature formulae for singular integral equations of the second kind

A fast and efficient numerical method based on the Gauss-Jacobi quadrature is described that is suitable for solving Fredholm singular integral equations of the second kind that are frequently encountered in fracture and contact mechanics. Here we concentrate on the case when the unknown function is singular at both ends of the interval. Quadrature formulae involve fixed nodal points and provide exact results for polynomials of degree 2n − 1, where n is the number of nodes. Finally, an application of the method to a plane problem involving complete contact is presented.     

Optimal H∞ general distance problem with degree constraint

In this paper the optimal H_∞, general distance problem, for continuous-time systems, with a prescribed degree on the solution is studied. The approach is based on designing the Hankel singular values using an imbedding idea. The problem is first imbedded into another problem with desirable characteristics on the Hankel singular values, then the solution to the original problem is retracted via a compression. The result is applicable to both the one-block and the four-block problems. A special case is given for illustration.     

Cif2000平台下的核磁共振测井解谱方法研究

介绍了在Cif2000多井解释平台下的核磁共振解谱方法与编程实现。解谱采用加入平滑因子后在特征矩阵的奇异值分解中截去小的非零奇异值的方法，可以在低信噪比时得到稳定的弛豫谱，在油田实际应用中证明了该方法的有效性。根据该方法在Cif2000平台上编制了完整的解谱处理程序，可以直接用于油田的生产实际。     

Discrete singular convolution and its application to the analysis of plates with internal supports. Part 2: Applications

Part 2 of this series of two papers presents the applications of the discrete singular convolution (DSC) algorithm. The main purpose of this paper is to explore the utility, test the accuracy and examine the convergence of the proposed approach for the vibration analysis of rectangular plates with internal supports. Both partial internal line supports and complex internal supports are considered for 21 square plates of various combinations of edge support conditions. The effects of different size, shape and topology of the internal supports and different boundary conditions on the vibration response of plates are investigated. The partial internal line supports may vary from a central point support to a full range of cross or diagonal line supports. Several closed‐loop supports, such as ring, square and rhombus, and their combinations are studied for complex internal supports. Convergence and comparison studies are carried out to establish the correctness and accuracy of the DSC algorithm. The DSC results are compared with those in the available literature obtained by using other methods. Numerical results indicate that the DSC algorithm exhibits controllable accuracy for plate analysis and shows excellent flexibility in handling complex geometries, boundary conditions and support conditions. Copyright © 2002 John Wiley & Sons, Ltd.