Mutual Diffusion Driven NMR: a new approach for the analysis of mixtures by spatially resolved NMR spectroscopy

We introduce a new approach for resolving the NMR spectra of mixtures that relies on the mutual diffusion of dissolved species when a concentration gradient is established within the NMR tube. This is achieved by cooling down a biphasic mixture of triethylamine and deuterated water below its mixing temperature, where a single phase is expected. Until equilibrium is reached, a gradient of concentration, from ‘pure’ triethylamine to ‘pure’ water, establishes within the tube. The amount of time required to reach this equilibrium is controlled by the mutual diffusion coefficient of both species. Moreover, a gradient of concentration exists for each additional compound dissolved in this system, related to the partition coefficient for that compound in the original biphasic state. Using slice selective experiments, it was possible to measure these concentration gradients and use them to separate signals from all the present species. We show the results acquired for a mixture composed of n‐octanol, methanol, acetonitrile and benzene and compare them with those obtained by pulse field gradient NMR. Copyright © 2016 John Wiley & Sons, Ltd.     

An improved strongly sub-feasible SSLE method for optimization problems and numerical experiments

In this paper, the super-linearly and quadratically convergent strong sub-feasible method [J.L. Li, J.B. Jian, A superlinearly and quadratically convergent strongly subfeasible method for nonlinear inequality constrained optimization, OR Transactions, 7 (2) (2003) 21-34] for nonlinear inequality constrained optimization is improved, such that the iterative points can get into the feasible region after a finite number of iterations. As a result, a strict restricted condition can be overcome. Another two contributions of this paper are that a new bidirectional Armijo line search is presented and a lot of numerical comparison results are reported.     

计算机通信接口与物理实验

在物理实验中引入“计算机应用”是当前教改的任务之一。也是实验教学发展的必然趋势。本通过重力加速度和型材杨氏模量的测量实验，说明计算机通信接口在物理实验中应用的可行性。     

Numerical Experiments with Various Formulations for Two Phase Flow in Petroleum Reservoirs*

Two phase immiscible flow in petroleum reservoirs is considered. Various formulations of the governing equations that describe this flow, including phase, global, and weighted formulations, are numerically experimented. Mixed finite element methods are used to solve these formulations. Our experiments show that the numerical results obtained using the phase and global formulations match well in terms of production rates, characterization curves, and water cuts.     

Deformability of expanded polystyrene under short-term compression

The results obtained in an experimental investigation of deformability of expanded polystyrene (EPS) under short-term compression are presented. The density of EPS varied from 13 to 28 kg/m³. The method of design of experiments was used to determine the elastic modulus and the ultimate strain (corresponding to the end of quasi-linear deformability) under compression stresses operating perpendicularly and parallel to the faces of EPS products. A graphical interpretation of the models is also presented. Based on the experimental data obtained, it was concluded that the expanded polystyrene was homogeneous in mutually perpendicular planes with respect to its deformability in compression. __________ Translated from Mekhanika Kompozitnykh Materialov, Vol. 43, No. 5, pp. 639–656, September–October, 2007.     

An empirical study of PLAD regression using the bootstrap

Partial LAD regression uses the L ₁ norm associated with least absolute deviations (LAD) regression while retaining the same algorithmic structure of univariate partial least squares (PLS) regression. We use the bootstrap in order to assess the partial LAD regression model performance and to make comparisons to PLS regression. We use a variety of examples coming from NIR experiments as well as two sets of experimental data.     

用于非光滑优化的信赖域算法的一个实施方案

本给出了处理无约束非光滑优化的信赖域算法的一个实施方案。数值实验表明：这种方案是切实可行和可靠的。     

Robust simulation with a base environmental scenario

In the design of a system, the comparison of possible solutions using simulation is generally performed with fixed environmental conditions. In practice, however, unexpected changes can occur for example in the part mix of a manufacturing facility or in the customer demand. Such changes, which are considered as modifications in environmental factors, can impact the system response. As a consequence, a solution A that is better than B for a given environment, can yield poorer performance than B for another environment. Therefore, we are interested in robust simulation studies, which aim at taking into account several possible environments. In methods based on Taguchi’s principles, no distinction is made between these environments in the robustness computation. In the suggested heuristic approach, we focus on problems where a particular environment is expected when the system will be in operation (the others being unexpected environments). This particular environment will be considered in the study as a “base environmental scenario”. The robustness of a solution of the design problem is computed as an approximate measure of what will be saved or lost if the environment becomes the unexpected. Reference curves are suggested to allow these solutions to be empirically compared in accordance with the decision-maker’s requirements. A simplified example is provided. The results are different from those obtained using a signal to noise ratio, which is typically used in Taguchian approaches.     

Governing equations, experiments, and the experimentalist

It is argued that the most important test of the understanding of any experiment is whether or not the results are consistent with the equations and boundary conditions believed to govern the flow. If they are not, then either the measurements are incorrect, the equations or boundary conditions are wrong, or the experiment performed was not the one believed to have been done. It is suggested that many apparently contradictory experimental results are, in fact, the result of the latter and have not been recognized as such because of a failure to apply the governing equations to the data. The arguments are supported by examples from turbulent shear flow experiments.     

Stochastic global optimization methods part II: Multi level methods

In Part II of our paper, two stochastic methods for global optimization are described that, with probability 1, find all relevant local minima of the objective function with the smallest possible number of local searches. The computational performance of these methods is examined both analytically and empirically.