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91.
Yilin Yang Siddarth K. Achar John R. Kitchin 《American Institute of Chemical Engineers》2022,68(6):e17653
The degree of rate control (DRC) quantitatively identifies the kinetically relevant (sometimes known as rate-limiting) steps of a complex reaction network. This concept relies on derivatives which are commonly implemented numerically, for example, with finite differences (FDs). Numerical derivatives are tedious to implement, and can be problematic, and unstable or unreliable. In this study, we demonstrate the use of automatic differentiation (AD) in the evaluation of the DRC. AD libraries are increasingly available through modern machine learning frameworks. Compared with the FDs, AD provides solutions with higher accuracy with lower computational cost. We demonstrate applications in steady-state and transient kinetics. Furthermore, we illustrate a hybrid local-global sensitivity analysis method, the distributed evaluation of local sensitivity analysis, to assess the importance of kinetic parameters over an uncertain space. This method also benefits from AD to obtain high-quality results efficiently. 相似文献
92.
Mengting Ma Zijun Li Feng Yang Huaixiang Wu Wuyang Huang Zhongquan Sui Harold Corke 《International Journal of Food Science & Technology》2021,56(7):3607-3617
Waxy, normal and high-amylose maize starches were subjected to heat-moisture treatment (HMT) and then added to wheat flour (WF) in different ratios (1%, 5% and 10%). The properties of blends and their cooked noodles were studied to investigate the effects of HMT starches. The incorporation of HMT starch in WF led to an increase in swelling power, peak viscosity and breakdown and to a decrease in setback, thus inhibiting retrogradation, hence enhancing resultant noodle softness. Compared to the same addition ratio of native starch to WF, HMT starch led to higher tensile strength and extensibility in resultant noodles. WF with added HMT starch had higher resistant starch than with native starch. This study showed that addition of HMT maize starch has potential to bring nutritional benefits. However, it is necessary to select the proper blending ratio and amylose content of starch to add, in consideration of its effect on noodle quality. 相似文献
93.
Wenjia Jing Baoqiang Hou Jinxiao Wang Qiang Zhi Jianfeng Yang Bo Wang 《Journal of the American Ceramic Society》2022,105(5):3141-3146
Photocatalysts often show excellent performances on the basis of their surface state of exposed faces with high reactivity, but unfortunately surfaces of this type are usually concealed into the interior of crystals for their high surface energy. We report here a possibility that for fluorine-terminated surfaces of monoclinic ZrO2, these higher-energy surfaces could be retained and exposed. Urchin-like ZrO2 hollow microspheres (UZHS) composed of nanoribbons with exposed (010) facets are obtained through a fluoride mediately solvothermal method. We prove the stabilization effect of fluorine adsorption on (010) facets by density functional theory calculations. More interestingly, UZHS exhibit tunable photocatalytic selectivity in dye degradation. The fluorinated UZHS exhibit good performances both on decomposing Congo red (CR) and methylene blue, while the surface-modified UZHS by calcination only favor decomposition of CR. 相似文献
94.
Donghai Xu Peng Feng Yang Wang Wanpeng Yang Yu Wang Shaoyan Sun 《American Institute of Chemical Engineers》2022,68(2):e17472
Corrosion and salt deposition problems severely restrict the industrialization of supercritical water oxidation. Transpiring wall reactor can effectively weaken these two problems by a protective water film. In this work, methanol was selected as organic matter, and the influences of vital structural parameters on water film properties and organic matter removal were studied via numerical simulation. The results indicate that higher than 99% of methanol conversion could be obtained and hardly affected by transpiration water layer, transpiring wall porosity and inner diameter. Increasing layer and porosity reduced reactor center temperature, but inner diameter's influence was lower relatively. Water film temperature reduced but coverage rate raised as layer, porosity, and inner diameter increased. Notably, the whole reactor was in supercritical state and coverage rate was only approximately 85% in the case of one layer. Increasing reactor length affected slightly the volume of the upper supercritical zone but enlarged the subcritical zone. 相似文献
95.
96.
Gang Zheng Xiaoxuan Yu Haizuo Zhou Xinyu Yang Wei Guo Pengbo Yang 《Geotextiles and Geomembranes》2021,49(1):180-187
Incompressible dipping substrata are commonly encountered in engineering practice. Compared to horizontal underlying strata, the inclined underlying stratum increase the risk of collapse of embankments reinforced with columns because it weakens the restraint of the column base. The objective of this study is to investigate the effectiveness of geosynthetics on improving the embankment stability when the underlying stratum is inclined. The influence of geosynthetic tensile stiffness on the ultimate surcharge and failure mechanism is studied. A deep-seated failure with column tilting occurs when the geosynthetic tensile stiffness is low, whereas a lateral sliding occurs when the geosynthetic tensile stiffness is high. To illustrate the contribution of geosynthetics, the distribution of the lateral pressures acting on the columns is analyzed. 相似文献
98.
Chuangang Yao Jixing Yang Haixia Zhang Sigeng Chen Jian Meng Kedi Cai 《Ceramics International》2021,47(17):24589-24596
Bismuth doped La2-xBixNiO4+δ (x = 0, 0.02 and 0.04) oxides are investigated as SOFC cathodes. The effects of Bi doping on the phase structure, thermal expansion, electrical conduction behavior as well as electrochemical performance are studied. All the samples exist as a tetragonal Ruddlesden-Popper structure. Bi-doped LBNO-0.02 and LBNO-0.04 have good chemical and thermal compatibility with LSGM electrolyte. The average TEC over 20–900°С was 13.4 × 10?6 and 14.2 × 10?6 K?1 for LBNO-0.02 and LBNO-0.04, respectively. The electrical conductivity was decreasing with the rise of Bi doping content. EIS measurement indicates Bi doping can decrease the ASR values. At 750 °C, the obtained ASR for LBNO-0.04 is 0.18 Ωcm2, which is 56% lower than that of the sample without Bi doping, suggesting Bi doping is beneficial to the electrochemical catalytic activity of LBNO cathodes. 相似文献
99.
采用异佛尔酮二异氰酸酯(IPDI)、聚乙二醇200、400、600、800(PEG200、PEG400、PEG600、PEG800)、2,2-二羟甲基丙酸(DMPA)、1-苯基-1,2-乙二醇、中和剂三乙胺(TEA)、甲乙酮肟等为原料,制备了一种阴离子聚氨酯分散剂.通过FTIR、GPC、TG表征了分散剂的结构与性能.利用自制的分散剂采用研磨法制备了液体靛蓝分散液,以液体靛蓝分散液粒径、离心稳定性、储存稳定性为指标,探讨了分散剂链长、用量对分散液性能的影响.结果表明,研磨1 h后,以PEG400为软段合成的聚氨酯分散剂用量为染料质量的60%时制备的液体靛蓝粒径为277.1 nm,1000 r/min离心稳定性达到93.98%,3000 r/min离心稳定性为51.13%,常温放置7 d后粒径变化在20 nm以内,染色后织物的颜色深度(K/S)为10左右,约是粉状靛蓝染色K/S的2倍,染色织物的颜色性能并未改变,SEM显示分散体颗粒大小分布均匀,与分散剂甲基萘磺酸钠的甲醛缩合物(MF)和木质素85A相比,其分散体系稳定性差别不大. 相似文献
100.
Tong Le Fan Ronggui Yang Shuangchun Zhang Qiushi Pan Yi 《Chemistry and Technology of Fuels and Oils》2022,57(6):991-999
Chemistry and Technology of Fuels and Oils - Application of water flooding technologies in the oilfield causes intensive heterogeneity of the oil reservoir and improper circulation of the injected... 相似文献