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model development for oxidation and degradation behavior of accident tolerant Cr coating on Zr alloy cladding under high temperature steam atmosphere

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JOURNAL OF NUCLEAR MATERIALS 2024年 589卷

作者： Wu, Shihao Wang, Dong Zhang, Yapei Okamoto, Koji Pellegrini, Marco Tian, Wenxi Qiu, Suizheng Su, G. H. Xi An Jiao Tong Univ Shaanxi Engn Res Ctr Adv Nucl Energy Sch Nucl Sci & Technol State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Univ Tokyo Sch Engn Dept Nucl Engn & Management 7-3-1 HongoBunkyo Ku Tokyo 1138656 Japan

The oxidation and degradation mechanisms of Cr coating on Zr alloy cladding under high temperature steam atmosphere are summarized. Six basic phenomena are considered for model development, including: oxidation of Cr, growth of ZrCr2, formation of Zr(Cr) solid solution, outward diffusion of Zr, reduction of Cr2O3, and volatilization of Cr2O3. The mathematical analysis model is established and validated, demonstrating its good capacity to predict the increase and subsequent decrease in the thickness of Cr2O3 scale, as well as the thickness changes in other individual layers. The developed model is applied in the analysis of the structure evolution of Cr coating under steady state, transient heating conditions and postulated accident scenarios.

关键词： Accident tolerant fuel Cr-coated Zr alloy High temperature steam oxidation Coating degradation model development

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model development of isopropanol dehydration from binary and ternary mixtures with pervaporation: Comparison and environmental evaluation of hybrid separation methods

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RESULTS IN ENGINEERING 2025年 25卷

作者： Thi, Huyen Trang Do Haaz, Eniko Toth, Andras Jozsef Budapest Univ Technol & Econ Dept Chem & Environm Proc Engn Environm & Proc Engn Res Grp Muegyetem Rkp 3 H-1111 Budapest Hungary

This study investigates the separation of isopropanol (IPA) from water and ethanol (EtOH) using hybrid distillation-hydrophilic pervaporation (D+HPV), distillation-hydrophilic pervaporation-distillation (D+HPV+D), and distillation-hydrophilic pervaporation-distillation-heat integration (D+HPV+D+HI) systems. The pervaporation performance of PERVAPTM 1510 and PERVAPTM 4100 hydrophilic membranes is evaluated for ternary (IPA-EtOH-Water) and binary (IPA-Water) mixtures at varying feed compositions and temperatures. The results show that increasing the water content in the feed solution enhances permeate flux but decreases the separation factor and selectivity. The highest total flux, separation factor and selectivity values achieved during the investigations are 1.96 kg/m2h, 4785 and 1614 in the case of ternary mixture. The relevant values are, as follows 2.84 kg/m2h, 5780 and 6872 for IPA-Water experiments. Additionally, isopropanol exhibits a higher permeation ability than ethanol, increasing fluxes at higher IPA concentrations. Two pervaporation models (model I and model II) were used for parameter estimation, with model II more accurately predicting flux behaviour, as it accounts for concentration-dependent diffusion coefficients. Regarding costs, D +HPV + D +HI offers the most balanced solution, with the lowest Total Annual Cost (TAC) of 275,000 /year. A life cycle assessment (LCA) demonstrates that the D +HPV + D method has the highest environmental impact, with 0.392 kg CO2-eq. There is no significant difference in carbon emissions between the three methods when switching from fossil fuels to renewable energy, which can reduce emissions by 35 %, 34 %, and 30 % when using biofuels, solar, and wind energy, respectively. The study concludes that hybrid distillation-pervaporation systems are highly efficient, offering cost-effective and environmentally sustainable solutions for IPA dehydration. Furthermore, the improved model II, which was first used for ternar

关键词： Isopropanol dehydration Ternary mixture separation model development Hybrid process Life cycle assessment Decarbonization

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model development, simulation and parameter estimation for pervaporative separation of benzene from model pyrolysis gasoline using insitu(nano)silver/polyvinyl alcohol membrane

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CHEMICAL ENGINEERING COMMUNICATIONS 2023年第10期210卷 1773-1790页

作者： Samanta, Monalisha Sen, Pramita Biswas, Dipa Mitra, Debarati Univ Calcutta Dept Chem Technol Kolkata India Heritage Inst Technol Dept Chem Engn Kolkata India Univ Calcutta Dept Chem Technol 92 APC Rd Kolkata 700009 India

Process simulators are commonly used for effective modeling, simulation, and optimization of separation techniques. A novel mathematical model was developed to determine the component fluxes, separation factor and pervaporation separation index (PSI) considering the effects of different physico-chemical parameters (temperature, pressure, feed concentration), on the pervaporative separation of benzene from model pyrolysis gasoline (benzene/1-octene) with a fabricated insitu(nano)silver/polyvinyl alcohol membrane. The simulation was done using MATLAB R2013 software. Estimation of PSI, the unique performance parameter, precisely provides the pervaporation separation efficiency. The maximum simulated and experimental PSI values for 0.3 mole fraction of benzene in feed at 303 K and 1 mm Hg downstream pressure are 14.25 kg/m(2)/h and 14.26 kg/m(2)/h, respectively. The error functions are presented in terms of Objective Function, Standard Deviation, Standard Error and Root Mean Square Error;all of them were MUCH LESS-THAN1. Good agreement between the experimental and simulated values endorsed the validity of the model.

关键词： Benzene flux insitu(nano)Ag PVA membrane model development pervaporation pervaporation separation index separation factor simulation

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An R package to partition observation data used for model development and evaluation to achieve model generalizability

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ENVIRONMENTAL modelLING & SOFTWARE 2025年 183卷

作者： Ji, Yiran Zheng, Feifei Wen, Jinhua Li, Qifeng Chen, Junyi Maier, Holger R. Gupta, Hoshin V. Zhejiang Univ Coll Civil Engn & Architecture Hangzhou Peoples R China Zhejiang Inst Hydraul & Estuary Hangzhou Peoples R China Univ Adelaide Sch Architecture & Civil Engn Adelaide Australia Univ Arizona Dept Hydrol & Atmospher Sci Tucson AZ USA

development of environmental models generally requires available data to be split into "development" and "evaluation" subsets. How this is done can significantly affect a model's outputs and performance. However, data splitting is generally done in a subjective, ad-hoc manner, with little justification, raising questions regarding the reliability of the findings of many modelling studies. To address this issue, we present and demonstrate the value of an R-package along with high-level guidelines for implementing many state-of-the-art data splitting methods in order to develop the model in a considered, defensible, consistent, repeatable and transparent fashion, thereby improving the generalizability of the resulting models. Results from two rainfall-runoff case studies show that models with high generalization ability can be achieved even when the available data contain rare, extreme events. Additionally, data splitting methods can be used to explicitly quantify the parameter uncertainty associated with data splitting and the resulting bounds on model predictions.

关键词： model development Data partitioning Environmental models R -package

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High-temperature oxidation of accident tolerant Cr-coated Zr alloy cladding: model development and validation

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JOURNAL OF NUCLEAR MATERIALS 2025年 606卷

作者： Wang, Dong Wu, Shihao Lu, Kai Zhang, Yapei Su, G. H. Liu, Xi Fuzhou Univ Coll Chem Engn Fuzhou 350108 Peoples R China Fuzhou Univ Inst Nucl Energy Technol Fuzhou 350108 Peoples R China Xi An Jiao Tong Univ Shaanxi Engn Res Ctr Adv Nucl Energy Sch Nucl Sci & Technol State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China

In our previous studies of Cr-coated Zr alloy cladding, models for the oxidation and degradation of Cr coating and for the oxidation and phase transformation of Zr alloy have been established. On these foundations, oxygen flux models for Cr-Zr non-eutectic and eutectic conditions are developed in this paper, enabling a comprehensive simulation of the oxidation processes of Cr-coated Zr alloy. The models are validated through oxidation experiments under isothermal and temperature ramp conditions, showing good agreement with the experimental data. The models can effectively simulate the processes where, under non-eutectic conditions, oxygen atoms first dissolve into the prior beta-Zr matrix after coating degradation, followed by the formation of alpha-Zr(O) and eventually ZrO2. For conditions with eutectic reaction, model assumption of immediate complete coating failure could lead to overestimation of substrate oxidation extent at low heating rates. This prediction deviation decreases as heating rate increases.

关键词： Cr-coated Zr alloy High-temperature oxidation Oxygen flux Diffusion model development

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Thermal plume diffusion on building facades: Mechanisms and model development under low wind speeds

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BUILDING AND ENVIRONMENT 2025年 279卷

作者： Han, Dongliang Wang, Mingqi Zhang, Tiantian Zhang, Xuedan Liu, Jing Tan, Yufei Harbin Inst Technol Sch Architecture & Design Key Lab Cold Reg Urban & Rural Human Settlement En Minist Ind & Informat Technol Harbin Peoples R China Northeast Forestry Univ Coll Civil Engn Harbin 150040 Peoples R China Natl Univ Singapore Dept Architecture Singapore Singapore

Understanding the diffusion behavior of thermal plumes released from building fa & ccedil;ades is critical for mitigating localized heat accumulation and enhancing urban thermal comfort, especially under low wind conditions commonly found in dense cities. This study aims to investigate the formation, diffusion, and rise characteristics of fa & ccedil;ade-induced thermal plumes under calm and low-wind environments. To achieve this, a combination of wind tunnel experiments using a static wind platform, hot-wire anemometry, and Particle Image Velocimetry (PIV) was employed, alongside computational fluid dynamics (CFD) simulations. The results show that thermal plumes primarily exhibit strong vertical rise with limited lateral diffusion, resulting in significant local heat buildup near fa & ccedil;ades. Wind direction and fa & ccedil;ade heat flux density notably influence plume behavior, compressing plumes under windward conditions and enhancing vertical rise under leeward scenarios. The rise angle decreases with increasing Richardson number (Ri), and this relationship is well described by the functions y = 52.6 x Ri/(4.8 +Ri) and y = 45.3 x Ri/(4.1 + Ri). Additionally, semi-empirical formulas for plume diffusion were proposed for static wind scenarios, with correction factors introduced to adapt to varying wind speeds. This research provides a novel coupling of experimental and numerical approaches to quantify fa & ccedil;ade thermal plume dynamics and offers practical insights for optimizing building design, improving natural ventilation strategies, and informing sustainable urban microclimate planning.

关键词： Thermal plume Thermal diffusion CFD PIV model development

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Methodologic Issues Specific to Prediction model development and Evaluation

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CHEST 2023年第5期164卷 1281-1289页

作者： Jin, Yuxuan Kattan, Michael W. Cleveland Clin Dept Quantitat Hlth Sci Cleveland OH 44103 USA

Developing and evaluating statistical prediction models is challenging, and many pitfalls can arise. This article identifies what the authors believe are some common methodologic concerns that may be encountered. We describe each problem and make suggestions regarding how to address them. The hope is that this article will result in higher-quality publications of statistical

关键词： KEY WORDS calibration continuous predictors Cox regression cross-validation Hosmer-Lemeshow test index of prediction accuracy model development rare outcome ROC curve SHAP value time to event end point unbalanced data variable selection

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Multiparametric Quantitative Imaging in Risk Prediction: Recommendations for Data Acquisition, Technical Performance Assessment, and model development and Validation

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ACADEMIC RADIOLOGY 2023年第2期30卷 196-214页

作者： Huang, Erich P. Pennello, Gene deSouza, Nandita M. Wang, Xiaofeng Buckler, Andrew J. Kinahan, Paul E. Barnhart, Huiman X. Delfino, Jana G. Hall, Timothy J. Raunig, David L. Guimaraes, Alexander R. Obuchowski, Nancy A. NCI Div Canc Treatment & Diag NIH 9609 Med Ctr DrMSC 9735 Bethesda MD 20892 USA US FDA Ctr Devices & Radiol Hlth Silver Spring MD USA European Imaging Biomarkers Alliance Inst Canc Res Div Radiotherapy & Imaging London England Cleveland Clin Fdn Lerner Res Inst Dept Quantitat Hlth Sci Cleveland OH USA Elucid Bioimaging Inc Boston MA USA Univ Washington Dept Radiol Seattle WA USA Duke Univ Dept Biostat & Bioinformat Durham NC USA Univ Wisconsin Dept Med Phys Madison WI USA Takeda Data Sci Inst Stat & Quantitat Sci Lexington MA USA Oregon Hlth & Sci Univ Dept Diagnost Radiol Portland OR USA

Combinations of multiple quantitative imaging biomarkers (QIBs) are often able to predict the likelihood of an event of interest such as death or disease recurrence more effectively than single imaging measurements can alone. The development of such multiparametric quantitative imaging and evaluation of its fitness of use differs from the analogous processes for individual QIBs in several key aspects. A computational procedure to combine the QIB values into a model output must be specified. The output must also be reproducible and be shown to have reasonably strong ability to predict the risk of an event of interest. Attention must be paid to statistical issues not often encountered in the single QIB scenario, including overfitting and bias in the estimates of model performance. This is the fourth in a five -part series on statistical methodology for assessing the technical performance of multiparametric quantitative imaging. Considerations for data acquisition are discussed and recommendations from the literature on methodology to construct and evaluate QIB-based models for risk prediction are summarized. The findings in the literature upon which these recommendations are based are demonstrated through simulation studies. The concepts in this manuscript are applied to a real-life example involving prediction of major adverse cardiac events using automated plaque analysis.

关键词： quantitative imaging model development model validation technical performance

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Effect of liquid product coverage on mass transfer and model development for gas-solid reaction in later reaction stage

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INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER 2022年 184卷 122254-122254页

作者： Liu, Ming Shen, Zhongjie Xu, Jianliang Liang, Qinfeng Liu, Haifeng East China Univ Sci & Technol Natl Energy Adm Res Ctr Coal Gasificat Technol Shanghai 200237 Peoples R China East China Univ Sci & Technol Shanghai Engn Res Ctr Coal Gasificat Shanghai 200237 Peoples R China

The carbon conversion efficiency of coal is important performance index for gasifiers. Besides, the predic-tion of reaction rate of coal particle decides the operating residence time in gasifier. In this work, effect of molten slag covered on particle surface on mass transfer at high temperatures was investigated. In-situ gasification process of different char particles was analyzed and the molten slag enclosed residual carbon was found. The residual carbon inside fine slag and the core particle enclosed with slag from commercial entrained-flow gasifier were demonstrated. The carbon contents were up to 70% and 45% in gasification residual and fine slag. A critical point was found in the differential results of the reaction rate curve. The critical carbon conversion is about 0.93, 0.99 and 0.93 for three different coal chars. The reaction rates of different coal chars all showed linear decrease in the later reaction stage because of the diffusion re-sistance. Based on the reaction mode, the proposal of reaction model for carbon conversion prediction of high ash content coal chars in the later reaction stage was developed. The predicted carbon conversion of the proposed new model showed ideal agreement with the experimental data. This work introduced the formation of residual carbon in detail and supplies the new predictive reaction rate that considering ash fusion at high temperatures. (c) 2021 Elsevier Ltd. All rights reserved.

关键词： Gas-solid reaction Product coverage effect model development Reaction kinetics Coal gasification

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Towards a Controlled Orthosis for Sit-To-Stand Support in Independently Living Elderly: model development 22

Towards a Controlled Orthosis for Sit-To-Stand Support in In...

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22nd World Congress of the International Federation of Automatic Control (IFAC)

作者： Juchem, Jasper Loccufier, Mia Chevalier, Amelie Univ Ghent Dept Electromech Syst & Met Engn B-9052 Ghent Belgium Univ Antwerp Dept Electromech CoSysLab Antwerp Belgium Flanders Make AnSyMo Cosys Brussels Belgium

ISBN: (纸本)9781713872344

Sit-to-stand (STS) movements are a daily challenge for independently living elderly. Literature shows a keen interest in using active orthoses to mitigate this problem. However, to design and test advanced control strategies for proof-of-concept orthoses, a validated model of the STS movement is missing. This work presents and elaborates on a model of the kinematics of the lower limb in combination with a human policy which represents the brain-muscle interaction. The model parameters are derived from both healthy and elderly patients. The applicability of the model is investigated by applying two popular control methods for active orthoses: gravity compensation and a control-based method. First, the results show model validation using measured in vivo joint torques from literature and, second, that both methods can be simulated using the developed STS model. This allows for optimizing and testing advanced control strategies in future *** (c) 2023 The Authors.

关键词： orthosis sit-to-stand model development elderly

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