An integrated dimensionality reduction and surrogate optimization approach for plant-wide chemical process operation

With liquefied natural gas becoming increasingly prevalent as a flexible source of energy, the design and optimization of industrial refrigeration cycles becomes even more important. In this article, we propose an integrated surrogate modeling and optimization framework to model and optimize the complex CryoMan Cascade refrigeration cycle. Dimensionality reduction techniques are used to reduce the large number of process decision variables which are subsequently supplied to an array of Gaussian processes, modeling both the process objective as well as feasibility constraints. Through iterative resampling of the rigorous model, this data-driven surrogate is continually refined and subsequently optimized. This approach was not only able to improve on the results of directly optimizing the process flow sheet but also located the set of optimal operating conditions in only 2 h as opposed to the original 3 weeks, facilitating its use in the operational optimization and enhanced process design of large-scale industrial chemical systems.     

Formation mechanism of porous reaction-bonded silicon nitride with interconnected pores in the presence of MgO

In porous reaction bonded silicon nitride, whiskers normally grow in globular clusters as the dominant morphology and deteriorate the pore interconnectivity. However, the ceramic microstructure was significantly transformed with the addition of MgO; specifically, the morphology was modified to a combination of matte and hexagonal grains. Microstructural observation along with thermodynamic studies suggest that MgO interfered with the presence and nitridation of SiO_(g). Consequently, rather than being involved in the whiskers’ formation, surface silica instead reacted with volatile MgO to form intermediate products. Through these reactions, whisker formation was blocked, and a porous interconnected structure formed which was confirmed by 3D tomography. After heat-treatment at 1700 °C, β-Si₃N₄ crystallized in a glassy matrix containing magnesium. Resulting samples had an open-pore structure with porosity of 74–84 vol. %, and density of 0.48-0.75 g.cm^?3. Combination of high porosity and pore size of <40 μm led to compressive strengths of 1.1–1.6 MPa.     

Classic and inverse compositional Gauss-Newton in global DIC

Today, effective implementations of digital image correlation (DIC) are based on iterative algorithms with constant linear operators. A relevant idea of the classic finite element (or, more generally, global) DIC solver consists in replacing the gradient of the deformed state image with that of the reference image, so as to obtain a constant operator. Different arguments (small strains, small deformations, equality of the two gradients close to the solution, etc) have been given in the literature to justify this approximation, but none of them are fully accurate. Indeed, the convergence of the optimization algorithm has to be investigated from its ability to produce descent directions. Through such a study, this paper attempts to explain why this approximation works and what is its domain of validity. Then, an inverse compositional Gauss-Newton implementation of finite element DIC is proposed as a cost-effective and mathematically sound alternative to this approximation.     

Investigations on Selectivity of Gas-Liquid Reactions in Capillaries

Biocatalysis offers a broad spectrum of possible ecological and economic advantages over conventional chemical catalysis processes, e.g., lower energy consumption and high enantio selectivity. The focus of this work is on gas-liquid reactions. These are of great importance in the chemical and biochemical industry and subject of current research since they are often limited by mass transfer or show low selectivity. Different suitable biocatalytically gas-liquid reaction systems were tested in capillary reactor designs in order to obtain information about the interaction between reaction and fluid mechanics. Furthermore, an optical measuring method was established. The experiments were performed in batch mode in a glass beaker with a flow cuvette for UV/Vis measurement of product concentration.     

Study of the Photocrosslinking of Ethylene Propylene Diene Monomer Terpolymer Under UV Irradiation

The photocrosslinking of thick samples of 5-ethylidene-2-norbornene–ethylene propylene diene monomer (ENB-EPDM) under air at room temperature was investigated. First, a model study was carried out on low-molecular weight oligomers: squalene, 1,2-polybutadiene, and 1,4-polybutadiene. Several crosslinking agents (meth(acrylics), bismaleimide, and thiol) combined with various photoinitiators were tested to improve the reactivity of these oligomers under UV irradiation. Gel contents, crosslinking densities, viscosities, and viscoelastic properties were measured in order to characterize the extent of crosslinking. Acrylate-based crosslinking agents appeared to be the most reactive species and these results were then applied to a low-molecular weight EPDM. Several photoinitiators were tested and benzophenone turned out to be the most efficient photoinitiator when combined with trimethylolpropane triacrylate. Finally, a commercial EPDM was subsequently photocrosslinked and high gel content and crosslinking density were obtained after only 2 min of irradiation. POLYM. ENG. SCI., 60:95–103, 2020. © 2019 Society of Plastics Engineers     

Applications of Diglycolamide Based Solvent Extraction Processes in Spent Nuclear Fuel Reprocessing,Part 1: TODGA

Over the last decade there has been much interest in the applications of diglycolamide (DGA) ligands for the extraction of the trivalent lanthanide and actinide ions from PUREX high active raffinates or dissolved spent nuclear fuel. Of the DGAs, the N,N,N’,N’-tetraoctyldiglycolamide (TODGA) is the best known and most widely studied. A number of new actinide separation processes have been proposed based on extraction with TODGA. This review covers TODGA-based processes and extraction data, specifically focusing on how phase modifiers have been used to increase metal loading and thus enhance the operating process envelopes. Effects of third phase formation and the organic phase speciation are reviewed in this context. Relevant aspects of the extraction chemistry of important solvents (TODGA-modifier-diluent combinations) are described and their performances demonstrated by a consideration of the published flowsheet tests. It is seen that modifiers are successfully enabling the use of TODGA in actinide separation processes but to date the identification and testing of suitable modifiers has been rather empirical. There is a growing understanding of the fundamental chemistry occurring in the organic phase and how that affects extractant speciation and metal loading capacity but studies are still needed if TODGA-based flowsheets are to become an industrially deployable option for minor actinide (MA) recovery processes.     

Structure,stability and permeation properties of NaA zeolite membranes for H2O/H2 and CH3OH/H2 separations

NaA zeolite membranes were synthesised in the secondary growth hydrothermal method based on the seeding of the inner surface of a ceramic α-alumina tube. The impacts of crystallisation time and zeolite precursor concentration (in H₂O) were investigated. The structure and stability of the prepared NaA zeolite membranes were also investigated with operating temperatures, times and pressures. The results indicate that the optimal synthesis gel molar composition was 3Na₂O: 2SiO₂: Al₂O₃: 200H₂O. This led to cubic-shaped NaA zeolite which showed good stability. The optimal NaA zeolite membrane had H₂O and CH₃OH fluxes of 2.77 and 0.19 kg/m²h, with H₂O/H₂ and CH₃OH/H₂ separation factors of ∞ and 0.09 at a temperature of 30 °C. The NaA zeolite membrane had high thermal stability, but poor separation performance at high temperature (240 °C). The results suggested that the H₂ permeation flux is significantly influenced by preferential adsorption of vapour in the NaA zeolite membrane.     

Relative expression and regulation by short-term fasting of lysophosphatidic acid receptors and autotaxin in white and brown adipose tissue depots

Lysophosphatidic acid (lysoPtdOH) levels have previously been reported to decrease in rodents with short-term fasting. We investigated whether a 16 h fast would change expression of autotaxin, the predominant phospholipase D responsible for adipose-derived lysoPtdOH synthesis, or any of the lysophosphatidic acid receptors (1–6) in four white adipose tissue (WAT) depots and interscapular brown adipose tissue (BAT) in male C57Bl/6J mice fed ad libitum, or fasted for 16 h. Aside from small inductions of Lpar1 in epididymal WAT and Lpar2 in epididymal and inguinal WAT, no significant changes were observed in expression of the Lpar family members, or autotaxin in perirenal, retroperitoneal, epididymal, or inguinal WAT or BAT with fasting. Comparison of the relative expression of Lpar1-6 in various depots showed that Lpar6 was the predominant Lpar in both WAT and BAT, and suggests that further work on the adipose-specific role of Lpar6 is warranted.