Diffusion of ammonia in silicalite studied by QENS and PFG NMR

Ammonia diffusivities in silicalite have been studied by quasi-elastic neutron scattering (QENS) and pulsed-field gradient (PFG) NMR for temperatures between 200 and 500 K and loadings from 1.5 up to 4.3 molecules per unit cell. The diffusion coefficients obtained by both techniques increase with increasing ammonia concentration. The QENS diffusivities refer to only a certain fraction of molecules, because during the time scale of the measurement the other part of molecules is essentially immobile, in interaction with silanol groups. During the much larger time scale of the PFG NMR experiment, ammonia molecules assume both states of mobility, leading to an average diffusivity which is smaller than the diffusivity of the mobile molecules recorded by QENS. The difference between the diffusivities derived from both techniques decreases when the proportion of immobile molecules is taken into account. The residence time of ammonia in interaction with silanol groups is about two orders of magnitude longer than with oxygen atoms.     

Analysis of debonding fracture in a sandwich plate with hexagonal core

In lightweight applications (as, e.g., aerospace structures) sandwich constructions are very useful and common due to their superior specific bending stiffness and bending strength. In many cases the sandwich consists of an upper and lower laminate facesheet and an intermediate hexagonal cellular aluminum core. Along their interfaces the facesheets and the core are glued together. In order to ensure structural integrity, the facesheet/core bonding is of particular interest. Finite element method has been used to study the cause and the effects of debonding phenomena in between the facesheet and the core of a sandwich plate under in-plane loading. A “unit cell” approach has been followed throughout the study. It has been observed that under an applied in-plane loading, there is a significant stress concentration at the junction of three cell walls and facesheet which easily leads to the generation of cracks and their growth. In order to judge about the tendency of crack initiation and growth, hypothetical interface cracks have been considered and analyzed by fracture mechanics technique. In doing so for various crack length, the energy release rate has been calculated and assessed by means of Irwin’s crack closure integral for a number of different situations. It has been observed that there is a significant amount of energy release rate even in the case of a very small or virtually no crack. This phenomenon indicates that the glue used to attach the facesheet and the cell must withstand a non-zero energy release rate even in the intact situation without any debonding.     

Multi-rate optimizing control of simulated moving beds

This paper presents an optimizing control scheme for simulated moving beds (SMB) that enables to incorporate multi-rate (MR) sampled measurements into the control and estimation problem in a clear and transparent manner. This is particularly relevant for chiral separations where online monitoring requires the combination of various analytical techniques that may operate on widely varying time scales. An MR periodic linear time-varying (PLTV) model is derived for the SMB process. The cyclic nature of the process is exploited by formulating the MR-PLTV model within a repetitive model predictive control framework. Simulation results for the chiral separation of the guaifenesin enantiomers are presented. The proposed multi-rate controller is able to deliver increased productivity while respecting the process and product specifications.     

Volumetric analysis of MRI data monitoring the treatment of polycystic kidney disease in a mouse model

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The human condition autosomal dominant polycystic kidney disease (ADPKD) is characterized by the growth of cysts in the kidneys that increase renal volume and lead to kidney failure. Mice studies are performed for treatment development monitored with imaging. The analysis of the imaging data is typically manual, which is costly and potentially biased. This paper presents a reliable and reproducible method for the automated segmentation of polycystic mouse kidneys.     

Blocking Grain Boundaries in Yttria-Doped and Undoped Ceria Ceramics of High Purity

CeO₂ samples doped with 10, 1.0, and 0.1 mol% Y₂O₃ and undoped CeO₂ samples of high purity were studied by impedance spectroscopy at temperatures <800°C and under various oxygen partial pressures. According to microstructural investigations by SEM and analytical STEM (equipped with EDXS), the grain boundaries were free of any second phase, providing direct grain-to-grain contacts. An amorphous siliceous phase was detected at only a few triple junctions, if at all; as a result, its contribution to the grain-boundary resistance was negligible. Nevertheless, the specific grain-boundary conductivities were still 2–7 orders of magnitude lower than the bulk conductivities, depending on dopant concentration, temperature, and oxygen partial pressure. The charge carrier transport across the grain boundaries occurred only through the grain-to-grain contacts, whose properties were then determined by the space-charge layer. The space-charge potential in acceptor-doped CeO₂ was positive, causing the simultaneous depletion of oxygen vacancies and accumulation of electrons in the space-charge layer. The very low grain-boundary conductivities can be accounted for by the oxygen-vacancy depletion; the accumulation of electrons became evident in weakly doped and undoped CeO₂ at high temperatures and under low oxygen partial pressures.     

Optimal design of water pipeline networks for the development of shale gas resources

One of the major concerns in shale gas production is water management. Millions of gallons of water are injected to fracture each well and a significant amount returns to the surface as flowback. Operators are increasingly reusing flowback to reduce freshwater consumption and impaired water disposal. Because of this, networks of water pipelines in U.S. shales are growing fast. This work is aimed at addressing the optimal planning of shale gas operations in multiple wellpads together with the design of water distribution networks (WDN). We propose a multiperiod mixed-integer linear programming model to solve the challenging stay-or-mobilize trade-off. The proposed model permits to schedule operations at a detailed level, accounting for the WDN required to maximize the reuse of impaired water. We present illustrative examples involving up to 20 pads, 4 frac-crews, and 100 wells developed over 1 year, showing that the design of the WDN can be effectively optimized.