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Chinese Journal of Chemical Engineering 2011年第4期19卷 703-708页

作者： D.ENG Dongshun WANG Rufa zhang Lianzhong ge Yun ji jianbing Zhejiang Province Key Laboratory of Biofuel College of Chemical Engineering and Material Science Zhejiang University of Technology Hangzhou 310014 China

Vapor-liquid equilibrium(VLE) data were measured for ternary system water + ethanol + 1-butyl-3methylimidazolium acetate([bmim][OAc]),in a relatively wide range of ionic liquid(IL) mass fractions up to *** sets of complete T-x-y data were obtained,in which the mole fraction of ethanol on IL-free basis was fixed separately at 0.1,0.2,0.4,0.6,0.8,and approximate *** non-random-two-liquid(NRTL) and electrolyte non-random-two-liquid(eNRTL) equations were used for correlation,showing similar *** ternary VLE was also modeled with the correlation from two data sets,with the mole fractions of ethanol on IL-free basis being 0.1 and approximate *** VLE data were also reproduced *** the eNRTL model,the root-mean-square deviation for temperature is 0.79 K and that for vapor-phase mole fraction is *** calculations are in good agreement with experimental *** effect of the IL on the VLE behavior of the volatile components is also illustrated.

关键词： vapor-liquid equilibrium eNRTL equation ionic liquid ethanol activity coefficient relative volatility

3D coarse-grained DPM simulation of the MIP reaction-regeneration loop

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Particuology 2024年第6期89卷 57-66页

作者： Yanhao Ye Shuai zhang ji Xu Wei ge State Key Laboratory of Mesoscience and Engineering(formerly State Key Laboratory of Multiphase Complex Systems) Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China

The reactor-regenerator loop is the core facility of the maximizing iso-paraffin(MIP)*** the discrete particle method(DPM)simulation can provide detailed information at the particle scale,it has been unable to simulate such a complex loop system due to limitations of coarse-grained(CG)models,computing software,and *** this study,a newly proposed soft-shell CG-DPM model with a CG ratio of up to 800 is used to simulate a 3.5 Mt/a industrial-scale MIP reactor-regenerator *** solid fraction distribution obtained is found to agree well with in-situ *** properties including the distribution of solid fraction,gas and solid velocity,standard derivation of solid fraction with time,temporal distribution of the flow field,and particle residence time distribution are measured in the simulation,which are meaningful to better design and operate such systems in the future.

关键词： Discrete particle method Coarse-grain Maximizing iso-paraffins Full-loop Reaction-regeneration system

Gas–solid reactor optimization based on EMMS-DPM simulation and machine learning

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Particuology 2024年第6期89卷 131-143页

作者： Haolei zhang Aiqi Zhu ji Xu Wei ge State Key Laboratory of Mesoscience and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China

Design,scaling-up,and optimization of industrial reactors mainly depend on step-by-step experiments and engineering experience,which is usually time-consuming,high cost,and high *** numerical simulation can reproduce high resolution details of hydrodynamics,thermal transfer,and reaction process in reactors,it is still challenging for industrial reactors due to huge computational *** this study,by combining the numerical simulation and artificial intelligence(AI)technology of machine learning(ML),a method is proposed to efficiently predict and optimize the performance of industrial reactors.A gas–solid fluidization reactor for the methanol to olefins process is taken as an example.1500 cases under different conditions are simulated by the coarse-grain discrete particle method based on the Energy-Minimization Multi-Scale model,and thus,the reactor performance data set is *** develop an efficient reactor performance prediction model influenced by multiple factors,the ML method is established including the ensemble learning strategy and automatic hyperparameter optimization technique,which has better performance than the methods based on the artificial neural ***,the operating conditions for highest yield of ethylene and propylene or lowest pressure drop are searched with the particle swarm optimization algorithm due to its strength to solve non-linear optimization *** show that decreasing the methanol inflow rate and increasing the catalyst inventory can maximize the yield,while decreasing methanol the inflow rate and reducing the catalyst inventory can minimize the pressure *** two objectives are thus conflicting,and the practical operations need to be compromised under different circumstance.

关键词： Discrete particle method Artificial intelligence Machine learning Particle swarm optimization Industrial reactor optimization

Compensation temperatures and hysteresis behaviors of a graphene-like trilayer

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Communications in Theoretical Physics 2024年第5期76卷 166-179页

作者： Ying An ji Liang Wei Wang Mei-mei Du Feng-ge zhang School of Science Shenyang University of TechnologyShenyang 110870China School of Electrical Engineering Shenyang University of TechnologyShenyang 110870China

This work focuses on the ground-state phase diagram,the compensation temperatures and the critical behaviors of a ferrimagnetic graphene-like trilayer induced by crystal fields and exchange *** simulation results show that a negative decrease in crystal field or an increase in exchange coupling can increase the critical *** importantly,an M curve with double compensation temperatures can be observed,which is not predicted by the Neel *** remarkable compensation phenomenon has potential application value in the field of magnetic recording.

关键词： graphene-like trilayer mixed-spin Ising model magnetization double compensation temperatures triple-loop hysteresis monte Carlo

Soft coarse-grained particle model for particle-fluid systems

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Particuology 2024年第1期84卷 178-193页

作者： Yanhao Ye ji Xu Wei ge State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing100190China

By modeling a group of neighboring real particles as a single coarse-grained particle(CGP),discrete particle method(DPM)is now capable of simulating industrial-scale particle-fluid ***,a systematic approach to determine the CGP properties and develop their interaction models is still lacking,which casts uncertainty on the predictivity of the *** this study,collisions between predefined particle groups are analyzed to construct kernel functions for modeling the CGPs and then the model parameters are determined by equating the statistical properties of the CGPs and the real particles in the physical process *** approach is implemented for homogeneous cooling of granular gas,then demonstrated effective in simulating experimental fluidized beds.

关键词： Coarse-grain(CG) Discrete particle method(DPM) Fluidized bed Multi-scale simulation

Machine learning with active pharmaceutical ingredient/polymer interaction mechanism:Prediction for complex phase behaviors of pharmaceuticals and formulations

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Chinese Journal of Chemical Engineering 2024年第2期66卷 263-272页

作者： Kai ge Yiping Huang Yuanhui ji jiangsu Province Hi-Tech Key Laboratory for Biomedical Research School of Chemistry and Chemical EngineeringSoutheast UniversityNanjing 211189China

The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical *** this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular *** the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'*** results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.

关键词： Multi-task machine learning Density functional theory Hydrogen bond interaction Miscibility Solubility

Rethinking Polyp Segmentation from An Out-ofdistribution Perspective

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Machine Intelligence Research 2024年第4期21卷 631-639页

作者： ge-Peng ji jing zhang Dylan Campbell Huan Xiong Nick Barnes Australian National University Canberra 8105Australia Mohamed bin Zayed University of Artificial Intelligence Abu Dhabi 999041UAE

Unlike existing fully-supervised approaches,we rethink colorectal polyp segmentation from an out-of-distribution perspective with a simple but effective self-supervised learning *** leverage the ability of masked autoencoders-self-supervised vision transformers trained on a reconstruction task-to learn in-distribution representations,here,the distribution of healthy colon *** then perform out-of-distribution reconstruction and inference,with feature space standardisation to align the latent distribution of the diverse abnormal samples with the statistics of the healthy *** generate per-pixel anomaly scores for each image by calculating the difference between the input and reconstructed images and use this signal for out-of-distribution(i.e.,polyp)*** results on six benchmarks show that our model has excellent segmentation performance and generalises across *** code is publicly available at https://***/gewelsji/Polyp-OOD.

关键词： Polyp segmentation anomaly segmentation out-of-distribution segmentation masked autoencoder abdomen.

Deep reinforcement learning based active surge control for aeroengine compressors

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Chinese Journal of Aeronautics 2024年第7期37卷 418-438页

作者： Xinglong zhang Zhonglin LIN Runmin ji Tianhong zhang College of Energy and Power Engineering Nanjing University of Aeronautics and AstronauticsNanjing 210016China School of Mechanical Engineering and Automation Fuzhou UniversityFuzhou 350108China

This study proposes an active surge control method based on deep reinforcement learning to ensure the stability of compressors when adhering to the pressure rise command across the wide operating range of an ***,the study establishes the compressor dynamic model with uncertainties,disturbances,and Close-Coupled Valve(CCV)actuator *** upon this foundation,a Partially Observable Markov Decision Process(POMDP)is defined to facilitate active surge *** address the issue of unobservability,a nonlinear state observer is designed using a finite-time high-order sliding ***,an Improved Soft Actor-Critic(ISAC)algorithm is developed,incorporating prioritized experience replay and adaptive temperature parameter techniques,to strike a balance between exploration and convergence during *** addition,reasonable observation variables,error-segmented reward functions,and random initialization of model parameters are employed to enhance the robustness and generalization ***,to assess the effectiveness of the proposed method,numerical simulations are conducted,and it is compared with the fuzzy adaptive backstepping method and Second-Order Sliding Mode Control(SOSMC)*** simulation results demonstrate that the deep reinforcement learning based controller outperforms other methods in both tracking accuracy and ***,the proposed active surge controller can effectively ensure stable operation of compressors in the high-pressure-ratio and high-efficiency region.

关键词： Aeroengine surge Active surge control Moore-Greitzer model Deep reinforcement learning Soft actor-critic Nonlinear observer

Early diagnosis, treatment, and outcomes of five patients with acute thallium poisoning

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World Journal of Clinical Cases 2021年第19期9卷 5082-5091页

作者： Ting-Ting Wang Bing Wen Xiu-Nan Yu zhang-ge ji Yi-Yong Sun Ying Li Shou-Lian Zhu Yong-Liang Cao Mei Wang Xiang-Dong jian Tan Wang Department of Neurology Zibo Municipal HospitalZibo 255400Shandong ProvinceChina Department of Neurology Qilu Hospital of Shandong UniversityJinan 250012Shandong ProvinceChina Department of Poisoning and Occupational Diseases Qilu Hospital of Shandong UniversityJinan 250012Shandong ProvinceChina Department of geriatrics Qilu Hospital of Shandong UniversityJinan 250012Shandong ProvinceChina Key Laboratory of Cardiovascular Proteomics of Shandong Province Qilu Hospital of Shandong UniversityJinan 250012Shandong ProvinceChina

BACKGROUND Thallium poisoning is rare and difficult to *** diagnosis and treatment of thallium-poisoned patients are essential to prevent morbidity and *** To evaluate the efficacy of treatments and outcomes of five patients with early diagnosis of acute thallium *** Five patients who consumed a thallium-contaminated meal were hospitalized in succession,and underwent clinical examinations such as blood tests and electromyography *** and blood tests confirmed the diagnosis of thallotoxicosis,revealing the occurrence of food *** patients underwent detoxification treatment,including hemoperfusion(HP)and treatment with Prussian blue(PB).A 24-mo follow-up was performed to evaluate the long-term outcomes on the patients after *** Initially,the patients presented with symptoms of acute thallium poisoning including hyperalgesia of the limbs and abdominalgia,which may differ from common peripheral *** symptoms such as hepatic damage and alopecia were observed in all the patients,which further confirmed the diagnosis of *** with chelating agents was ineffective,while HP and treatment with PB drastically decreased the thallium concentration in the urine and *** early diagnosis and intervention,four patients had a good prognosis and no permanent *** patient developed blindness and disability during the 24-mo follow-up *** Identification of incident cluster and characteristic symptoms is extremely important for early diagnosis of acute thallium *** plus PB is essential to improve the prognosis of thallium-poisoned patients.

关键词： Thallium poisoning Hyperalgesia Abdominalgia Hemoperfusion Prussian blue Outcomes

Discovery of the choristodere Hyphalosaurus baitaigouensis from the Lower Cretaceous jiufotang Formation of western Liaoning,China and its paleobiogeographic significance

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Journal of Palaeogeography 2024年第3期13卷 547-562页

作者： Li-Jun zhang Shu-An ji Hai-Chun zhang South China Sea Culture Museum Hainan Tropical Ocean UniversitySanya 572022Hainan ProvinceChina Key Laboratory of Stratigraphy and Paleontology Ministry of Natural ResourcesInstitute of GeologyChinese Academy of Geological SciencesBeijing 100037China State Key Laboratory of Palaeobiology and Stratigraphy Nanjing Institute of Geology and Palaeontology and Center for Excellence in Life and PaleoenvironmentChinese Academy of SciencesNanjing 210008Jiangsu ProvinceChina

The water-living reptile genus Hyphalosaurus was previously discovered in the Lower Cretaceous Yixian Formation bearing the middle Jehol Biota in western Liaoning,*** complete skeletons of Hyphalosaurus are reported for the first time from the jiufotang Formation bearing the late Jehol Biota at two sites in western *** show the typical characteristics of Hyphalosaurus baitaigouensis in terms of the contact between some cranial bones and the number of cervical and dorsal vertebrae,and therefore are assigned to *** discovery extends the stratigraphic range of this species from the Yixian Formation to the overlying jiufotang *** paper further briefly compares the main characteristics of the two skeletons,summarizes the temporal and spatial distribution of Hyphalosaurus,and discusses the palaeogeographic evolution of western Liaoning at the middle and late Jehol Biota stages based on the aquatic habits of Hyphalosaurus and the geological background of western *** analytical results show that the volcanic downwarped lakes,with distinct geographical divisions in western Liaoning during the deposition of the Yixian Formation,had not completely disappeared till the deposition of the jiufotang *** palaeo-lake in the Fuxin-Yixian Basin underwent the process of generation,expansion and shrinkage during the depositional period of the Yixian Formation and finally merged into a large *** palaeo-Dalinghe River,which connected the main basins in western Liaoning during the depositional period of the jiufotang Formation,was formed simultaneously.

关键词： Western liaoning Jehol biota jiufotang formation Hyphalosaurus baitaigouensis Palaeobiogeography