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Thomas R. Savage Fernando Almeida-Trasvina Ehecatl A. del-Rio Chanona Robin Smith Dondga Zhang 《American Institute of Chemical Engineers》2021,67(11):e17358
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. 相似文献
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Xian Yu Wang Cuicui Wang Ge Smith Leemiller Cheng Haitao 《Holz als Roh- und Werkstoff》2022,80(2):355-365
European Journal of Wood and Wood Products - To obtain the optimum balance between performance and cost, white mud (lime mud) was incorporated into the shell layer of core–shell structured... 相似文献
5.
Dr. Chungsik Kim Mintesinot Kassu Dr. Kenneth P. Smith Prof. James E. Kirby Prof. Roman Manetsch 《ChemMedChem》2021,16(18):2775-2780
Pyrazole-thiazole core-containing compound KP-40 and 20 novel derivatives were designed and synthesized through traditional SAR analysis. These molecules displayed adjunctive activity with meropenem against Gram-negative bacteria evidenced by a range of fractional inhibitory concentration (FIC=0.5–0.25) and minimum adjunctive concentration (MAC=128–32 μM) values. Of this series of molecules, four compounds displayed notable adjunctive potential, with FIC and MAC values of 0.25 and 32 μM, respectively. Moreover, the solubility of these compounds was improved to an acceptable range. Further analysis using our “in house” permeation and efflux multi parameter optimization (PEMPO) algorithm revealed key physicochemical properties that may be critical for the development of active Gram-negative antibacterials. Taking PEMPO scores into consideration prior to executing synthesis of analogs may be a simple, yet rapid and effective strategy that can be used in conjunction with traditional SAR approaches to aid in the design of potent Gram-negative antibacterials. 相似文献
6.
David J. Lawrence Brianna L. Smith Cameron D. Collard Keyton A. Elliott Kyle L. Fakhoury Jeffery D. Mangold Anna N. Soyka 《International Journal of Hydrogen Energy》2021,46(2):1642-1655
Monolithically-integrated tandem photoanodes were fabricated on substrates consisting of epitaxial n-GaAs1-xPx (x ? 0.32) grown on n+-GaAs wafers. A p+-n junction photovoltaic (PV) cell was first formed by zinc diffusion into the n-GaAs0.68P0.32 from a deposited ZnO coating. After diffusion the ZnO serves as a transparent electrical contact to the resulting p+-GaAs0.68P0.32 surface layer. Transparent, conducting SnO2:F provides chemical and mechanical protection for the ZnO and the underlying PV cell, and it electrically connects this cell to a top BiVO4 photocatalyst layer. In some photoanodes, a WO3 thin film was interposed between the SnO2:F and BiVO4. All oxide coatings were produced by ultrasonic spray pyrolysis except WO3, which was spin coated. Unassisted (unbiased) solar water splitting was achieved, with a solar-to-hydrogen efficiency approaching 2%, without addition of any co-catalyst to the BiVO4 surface. This work can provide insights to other researchers regarding scalable, low cost approaches for the planar monolithic integration of oxide photoanode materials with PV cells to create new tandem devices. 相似文献
7.
Sawao Honda Shinobu Hashimoto Benoît Nait-Ali David S. Smith Yusuke Daiko Yuji Iwamoto 《Journal of the American Ceramic Society》2022,105(10):6335-6344
Porous alumina with a highly textured microstructure was fabricated by pulse electric current sintering (PECS) using alumina platelets. Highly oriented porous alumina with a porosity of 3%–50% was obtained by a pressure-controlled method of PECS. The properties of the highly textured porous alumina were measured in two directions. The nitrogen gas permeance and thermal conductivity at room temperature were higher in the direction along the platelet length due to the higher continuity of pores and the connectivity of alumina platelets, respectively. The anisotropy of the thermal conductivity at room temperature was investigated and explained by the effect of grain size of platelets as well as morphology and orientation of pores. The bending strength was higher with the loading direction along the platelet thickness. The thermal shock strength was clearly different in the two directions. The difference in the thermal shock strength was investigated by the measurement of properties and thermal stress analysis. 相似文献
8.
Dan Liu Hongying Yang Jianhui Li Jiaqi Li Yizhe Dong Chuntian Yang Yuting Jin Lekbach Yassir Zhong Li David Hernandez Dake Xu Fuhui Wang Jessica A.Smith 《材料科学技术学报》2021,79(20):101-108
Titanium alloys possess excellent corrosion resistance in marine environments,thus the possibility of their corrosion caused by marine microorganisms is neglected.In this work,microbiologically influenced corrosion (MIC) of TC4 titanium alloy caused by marine Pseudomonas aeruginosa was investigated through electrochemical and surface characterizations during a 14-day immersion test.Results revealed that the unstable surface caused by P.aeruginosa resulted in exposure of Ti2O3 and severe pitting corrosion with maximum pit depth of 5.7 μm after 14 days of incubation.Phenazine-1-carboxy[ate (PCN),secreted by P.aeruginosa,promoted extracellular electron transfer (EET) and accelerated corrosion.Deletion of the phzH gene,which codes for the enzyme that catalyzes PCN production,from the P.aeruginosa genome,resulted in significantly decreased rates of corrosion.These results demonstrate that TC4 titanium alloy is not immune to marine MIC,and EET contributes to the corrosion of TC4 titanium alloy caused by P.aeruginosa. 相似文献
9.
Weilin L. Shelver David J. Smith 《Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment》2018,35(8):1519-1529
Zilpaterol is a β-adrenergic agonist feed additive approved in the United States to increase weight gain and improve feed efficiency of cattle. A zilpaterol immunochromatographic assay was developed as an economical and user-friendly rapid detection method for zilpaterol and validated using urine and tissue samples derived from animal studies. The assay sensitivity was 1.7–23.2 ng g?1 or mL?1 across a variety of feed and animal matrices and did not cross-react with clenbuterol or ractopamine. No sample pre-treatment of cattle and sheep urine was needed, but horse urine and feed required dilution; skeletal muscle required solvent extraction prior to testing. Of 32 incurred sheep urine samples tested, zilpaterol content was correctly identified in all but 2 samples. Horse urine containing >10 ng mL?1 of incurred zilpaterol residue (n = 48) was correctly identified as zilpaterol positive. The assay correctly identified 0-day withdrawal sheep muscle samples as zilpaterol positive and the control and longer withdrawal day sheep muscle samples as negative. Zilpaterol was demonstrated to be stable in horse urine when stored at ?20°C for 7 years. 相似文献
10.
Dr. Li Di Prof. Per Artursson Dr. Alex Avdeef Prof. Leslie Z. Benet Prof. J. Brian Houston Dr. Manfred Kansy Edward H. Kerns Prof. Hans Lennernäs Dr. Dennis A. Smith Prof. Kiyohiko Sugano 《ChemMedChem》2020,15(20):1862-1874
Passive permeability is a key property in drug disposition and delivery. It is critical for gastrointestinal absorption, brain penetration, renal reabsorption, defining clearance mechanisms and drug-drug interactions. Passive diffusion rate is translatable across tissues and animal species, while the extent of absorption is dependent on drug properties, as well as in vivo physiology/pathophysiology. Design principles have been developed to guide medicinal chemistry to enhance absorption, which combine the balance of aqueous solubility, permeability and the sometimes unfavorable compound characteristic demanded by the target. Permeability assays have been implemented that enable rapid development of structure-permeability relationships for absorption improvement. Future advances in assay development to reduce nonspecific binding and improve mass balance will enable more accurately measurement of passive permeability. Design principles that integrate potency, selectivity, passive permeability and other ADMET properties facilitate rapid advancement of successful drug candidates to patients. 相似文献