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.     

Parallel chaos optimization algorithm with migration and merging operation

Chaos optimization algorithm (COA) utilizes the chaotic maps to generate the pseudo-random sequences mapped as the decision variables for global optimization applications. A kind of parallel chaos optimization algorithm (PCOA) has been proposed in our former studies to improve COA. The salient feature of PCOA lies in its pseudo-parallel mechanism. However, all individuals in the PCOA search independently without utilizing the fitness and diversity information of the population. In view of the limitation of PCOA, a novel PCOA with migration and merging operation (denoted as MMO-PCOA) is proposed in this paper. Specifically, parallel individuals are randomly selected to be conducted migration and merging operation with the so far parallel solutions. Both migration and merging operation exchange information within population and produce new candidate individuals, which are different from those generated by stochastic chaotic sequences. Consequently, a good balance between exploration and exploitation can be achieved in the MMO-PCOA. The impacts of different one-dimensional maps and parallel numbers on the MMO-PCOA are also discussed. Benchmark functions and parameter identification problems are used to test the performance of the MMO-PCOA. Simulation results, compared with other optimization algorithms, show the superiority of the proposed MMO-PCOA algorithm.     

Parameter estimation for a morphochemical reaction-diffusion model of electrochemical pattern formation

The process of electrodeposition can be described in terms of a reaction-diffusion partial differential equation (PDE) system that models the dynamics of the morphology profile and the chemical composition. Here we fit such a model to the different patterns present in a range of electrodeposited and electrochemically modified alloys using PDE constrained optimization. Experiments with simulated data show how the parameter space of the model can be divided into zones corresponding to the different physical patterns by examining the structure of an appropriate cost function. We then use real data to demonstrate how numerical optimization of the cost function can allow the model to fit the rich variety of patterns arising in experiments. The computational technique developed provides a potential tool for tuning experimental parameters to produce desired patterns.     

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.     

SUN工作站的EEPROM浅析

ＥＥＰＲＯＭ的参数设置控制着系统的基本功能，设置的改变对系统的起动和运行起着重要作用。本文详细地列出了ＥＥＰＲＯＭ的地址分配表，并通过上机实验对那些重要的地址了详细的说明。     

Evaluation of Monkman-Grant parameters for type 316LN and modified 9Cr-Mo stainless steels

The Monkman-Grant (M-G) and its modified parameters were evaluated for type 316LN and modified 9Cr-Mo stainless steels prepared with minor element variations. Several sets of creep data for the two alloy systems were obtained by constant-load creep tests in 550-650°C temperature range. The M-G parameters,m, m’,C, andC’ were proposed and discussed for the two alloy systems. Them value of the M-G relation was 0.90 in type 316LN steel and 0.84 in modified 9Cr-Mo steel. Them’, value of the modified relation was 0.94 in type 316LN steel and 0.89 in 9Cr-Mo steel. Although creep fracture modes and creep properties between type 316LN and modified 9Cr-Mo steels showed a basic difference, the M-G and its modified relations demonstrated linearity quite well. Them’ of modified relation almost overlapped regardless of the creep testing conditions and chemical variations in the two alloy systems, and the parameterm’ was closer to unity than that of the M-G relation.     

野外大气扩散试验中四面体气球示踪实验的初步评价

1985年11月在瑞士北部进行了一次以探讨“冷池”条件下的扩散和湍流特征为目的的国际野外大气试验,本文介绍其中的四面体气球示踪实验的结果。一共进行了三次由雷达跟踪的四面体示踪实验,释放了10个四面体球。按多轨迹法和单轨迹法分别估算并比较了其中两次示踪实验得到的水平扩散参数σ_y,探讨了风摆效应的贡献。采用“体源模式”并结合单轨迹法估算了微弱风场不定风向条件下的扩散参数,分析了静风,弱风条件下的水平风向标准差和湍流强度。