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Application of supervised machine learning to predict the enhanced gas recovery by CO2 injection in shale gas reservoirs

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Petroleum 2024年第1期10卷 124-134页

作者： Moataz Mansi Mohamed Almobarak Jamiu Ekundayo Christopher Lagat Quan Xie discipline of Petroleum engineering WA School of Mines: Minerals Energy and Chemical Engineering Curtin University

The technique of Enhanced Gas Recovery by CO2injection（CO2-EGR） into shale reservoirs has brought increasing attention in the recent decade. CO2-EGR is a complex geophysical process that is controlled by several parameters of shale properties and engineering design. Nevertheless, more challenges arise when simulating and predicting CO2/CH4displacement within the complex pore systems of shales. Therefore,the petroleum industry is in need of developing a cost-effective tool/approach to evaluate the potential of applying CO2injection to shale reservoirs. In recent years, machine learning applications have gained enormous interest due to their high-speed performance in handling complex data and efficiently solving practical problems. Thus, this work proposes a solution by developing a supervised machine learning（ML） based model to preliminary evaluate CO2-EGR efficiency. Data used for this work was drawn across a wide range of simulation sensitivity studies and experimental investigations. In this work, linear regression and artificial neural networks（ANNs） implementations were considered for predicting the incremental enhanced CH4. Based on the model performance in training and validation sets, our accuracy comparison showed that（ANNs） algorithms gave 15% higher accuracy in predicting the enhanced CH4compared to the linear regression model. To ensure the model is more generalizable, the size of hidden layers of ANNs was adjusted to improve the generalization ability of ANNs model. Among ANNs models presented, ANNs of 100 hidden layer size gave the best predictive performance with the coefficient of determination（R2） of 0.78 compared to the linear regression model with R2of 0.68. Our developed MLbased model presents a powerful, reliable and cost-effective tool which can accurately predict the incremental enhanced CH4by CO2injection in shale gas reservoirs.

关键词： Artificial intelligence Supervised Machine Learning Shale Gas Enhanced Shale Gas Recovery CO 2 Injection CO 2 sequestration

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Boost the Utilization of Dense FeN4 Sites for High-Performance Proton Exchange Membrane Fuel Cells

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Energy & Environmental Materials 2024年第3期7卷 402-409页

作者： Yanrong Li Shuhu Yin Long Chen Xiaoyang Cheng Chongtai Wang Yanxia Jiang Shigang Sun State Key Laboratory of Physical Chemistry of Solid Surfaces Engineering Research Center of Electrochemical Technologies of Ministry of EducationCollege of Chemistry and Chemical Engineeringand Discipline of Intelligent Instrument and EquipmentXiamen University College of Chemistry and chemical engineering Key Laboratory of Electrochemical Energy Storage and Energy Conversion of Hainan ProvinceHainan Normal University

Iron-nitrogen-carbon （Fe-N-C） catalysts for the oxygen reduction reaction（ORR） in proton exchange membrane fuel cells （PEMFCs） have seriously been hindered by their poor ORR performance of Fe-N-C due to the low active site density （SD） and site ***,we reported a melamineassisted vapor deposition approach to overcome these *** melamine not only compensates for the loss of nitrogen caused by hightemperature pyrolysis but also effectively etches the carbon substrate,increasing the external surface area and mesoporous porosity of the carbon *** can provide more useful area for subsequent vapor deposition on active *** prepared 0.20Mela-FeNC catalyst shows a fourfold higher SD value and site utilization than the FeNC without the treatment of *** a result,0.20Mela-FeNC catalyst exhibits a high ORR activity with a half-wave potential (E1/2) of 0.861 V and 12-fold higher ORR mass activity than the FelMC in acidic *** the cathode in a H2-O2PEMFCs,0.20Mela-FeNC catalyst demonstrates a high peak power density of1.30 W cm-2,outstripping most of the reported Fe-N-C *** developed melamine-assisted vapor deposition approach for boosting the SD and utilization of Fe-N-C catalysts offers a new insight into high-performance ORR electrocatalysts.

关键词： fuel cells melamine oxygen reduction reaction site density utilization

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Process intensification for the synthesis and purification of battery-grade Li_(2)CO_(3)with microfluidics

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Particuology 2024年第7期90卷 106-117页

作者： Haodu Li Jie Zhang Lin Dai Le Du Jiqin Zhu The State Key Laboratory of chemical Resource engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

Battery-grade lithium carbonate(Li_(2)CO_(3))with a purity of higher than 99.5 wt%is of great importance as a high value-added lithium ***,influences of different reaction systems and process control on product purity remain ***,a membrane dispersion microreactor was used to enhance the mass transfer of preparation and purification processes in homogeneous and heterogeneous *** systems of Na_(2)CO_(3)–LiCl,NH_(4)HCO_(3)–LiCl,and NH_(3)·H_(2)O−CO_(2)−LiCl,CO_(2)purification based on carbonation and decomposition were *** Li_(2)CO_(3)purity was increased by the improvement of mixing *** carbonation time was reduced by 62.5%and 58.3%for the NH_(3)·H_(2)O−CO_(2)and CO_(2)purification systems,*** the two ammonia-based systems,Li_(2)CO_(3)particles with a purity of 99.7–99.8 wt%were one-step prepared with a size of 3–5μm,which also met the requirement of the battery-grade *** purity was further increased to 99.9 wt%by CO_(2)purification and LiHCO_(3)*** investigation could provide a feasible alternative for the controllable preparation of battery-grade Li_(2)CO_(3)in one or multiple steps.

关键词： Microfluidics Battery grade Li_(2)CO_(3) Process intensification High purity

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Research progress on simulation of multiscale mass transfer processes in gas-solid system by computational mass transfer

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Particuology 2024年第7期90卷 478-492页

作者： Xu Li Yaohui Wang Leifu Li Runye Zhang Hailun Ren Wenbin Li Zhongli Tang Donghui Zhang The Research Center of chemical engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China The Department of chemical engineering Tianjin Renai CollegeTianjin 301636China Collaborative Innovation Center of chemical Science and engineering(Tianjin) School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China

Particle-fluid system is one of the most popular systems in chemical *** to complex interface structure and high-velocity turbulence,the momentum and mass transfer exhibit nonlinear characteristics,which pose a great challenge for further study and *** solve this problem,computational mass transfer(CMT)emerged and has been proved to be effective in deeply exploring the mass transfer behavior of particle-fluid ***,this paper reviews recent gas-solid numerical studies of turbulence issues from empirical to theoretical,then discusses interphase mass transfer rate models and the interfacial interaction ***,the present study particularly reviews researches on mass transfer process of fixed and fluidized regime by CMT,providing reliable analysis of turbulent anisotropy diffusivity as well as multiscale structure and presenting theoretical instruction for the industrial optimization of mass transfer processes in chemical engineering.

关键词： Fixed bed Fluidized bed Computational mass transfer Turbulent mass diffusion Multiscale Anisotropy

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Continuous-flow electrosynthesis of urea and oxalic acid by CO_(2)-nitrate reduction and glycerol oxidation

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Chinese Journal of Catalysis 2024年第8期63卷 270-281页

作者： Shuanglong Zhou Yue Shi Yu Dai Tianrong Zhan Jianping Lai Lei Wang Key Laboratory of Eco-chemical engineering Key Laboratory of Optic-electric Sensing and Analytical Chemistry of Life ScienceTaishan Scholar Advantage and Characteristic Discipline Team of Eco-Chemical Process and TechnologyCollege of Chemistry and Molecular EngineeringQingdao University of Science and TechnologyQingdao 266042ShandongChina

Urea and oxalic acid are critical component in various chemical manufacturing ***,achieving simultaneous generation of urea and oxalic acid in a continuous-flow electrolyzer is a ***,we report a continuous-flow electrolyzer equipped with 9-square centime-ter-effective area gas diffusion electrodes(GDE)which can simultaneously catalyze the glycerol oxidation reaction in the anode region and the reduction reaction of CO_(2)and nitrate in the cathode region,producing oxalic acid and urea at both the anode and cathode,*** current density at low cell voltage(0.9 V)remained above 18.7 mA cm^(-2)for 10 consecutive electrolysis cycles(120 h in total),and the Faraday efficiency of oxalic acid(67.1%)and urea(70.9%)did not *** and theoretical studies show that in terms of the formation of C-N bond at the cathode,Pd-sites can provide protons for the hydrogenation process of CO_(2)and NO3-,Cu-sites can promote the generation of*COOH and Bi-sites can stabilize**** addition,in terms of glycerol oxidation,the introduction of Cu and Bi into Pd metallene promotes the oxidation of hydroxyl groups and the cleavage of C-C bond in glycerol molecules,respectively.

关键词： Urea Oxalic acid CO_(2) C-N bond Metallene

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Breakthrough in Li-mediated continuous electrosynthesis of ammonia

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Science China Chemistry 2024年第10期67卷 3191-3192页

作者： Fei Zhan Chang Yu State Key Laboratory of chemical Resource engineering College of Chemical EngineeringBeijing University of Chemical Technology State Key Laboratory of Fine chemicals Liaoning Key Lab for Energy Materials and Chemical EngineeringSchool of Chemical EngineeringDalian University of Technology

Ammonia（NH3） ranks among the manufactured chemicals,with an annual production surpassing 182 million tons [1],which is an indispensable raw material for fertilizer industry and has been recognized as a promising car...

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High adsorption selectivity of activated carbon and carbon molecular sieve boosting CO_(2)/N_(2) and CH_(4)/N_(2) separation

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Chinese Journal of chemical engineering 2024年第3期67卷 282-297页

作者： Siang Chen Wenling Wu Zhaoyang Niu Deqi Kong Wenbin Li Zhongli Tang Donghui Zhang The Research Center of chemical engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China

Flue gas and coal bed methane are two important sources of greenhouse *** swing adsorption process has a wide range of application in the field of gas separation,and the selection of adsorbent is *** this regard,in order to assess the better adsorbent for separating CO_(2) from flue gas and CH_(4) from coal bed methane,adsorption isotherms of CO_(2),CH_(4) and N_(2) on activated carbon and carbon molecular sieve are measured at 303.15,318.15 and 333.15 K,and up to 250 *** experimental data fit better with Langmuir 2 compared to Langmuir 3 and Langmuir-Freundlich models,and Clausius-Clapeyron equation was used to calculate the isosteric *** the order of the adsorbed amount and the adsorption heat on the two adsorbents are CO_(2)>CH_(4)>N_(2).The adsorption kinetics are calculated by the pseudo-first kinetic model,and the order of adsorption rates on activated carbon is N_(2)-CH_(4)>CO_(2),while on carbon molecular sieve,it is CO_(2)-N_(2)>CH_(4).It is shown that relative molecular mass and adsorption heat are the primary effect on kinetics for activated carbon,while kinetic diameter is the main resistance factor for carbon molecular ***,the adsorption selectivity of CH_(4)/N_(2) and CO_(2)/N_(2) were estimated with the ideal adsorption solution theory,and carbon molecular sieve performed best at 318.15 K for both CO_(2) and CH_(4) *** study suggested that activated carbon is a better choice for separating flue gas and carbon molecular sieve can be a strong candidate for separating coal bed methane.

关键词： Activated carbon Carbon molecular sieve Adsorbent evaluation Adsorption equilibrium and kinetics Heat of adsorption Selectivity

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Microfluidic-oriented synthesis of enriched iridium nanodots/carbon architecture for robust electrocatalytic nitrogen fixation

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Green Energy & Environment 2024年第3期9卷 544-555页

作者： Hengyuan Liu Xingjiang Wu Yuhao Geng Xin Li Jianhong Xu The State Key Laboratory of chemical engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China

Electrocatalytic nitrogen reduction reaction(NRR)is considered as a promising candidate to achieve ammonia synthesis because of clean electric energy,moderate reaction condition,safe operating process and harmless ***,the chemical inertness of nitrogen and poor activated capacity on catalyst surface usually produce low ammonia yield and faradic ***,the microfluidic technology is proposed to efficiently fabricate enriched iridium nanodots/carbon *** to in-situ co-precipitation reaction and microfluidic manipulation,the iridium nanodots/carbon nanomaterials possess small average size,uniform dispersion,high conductivity and abundant active sites,producing good proton activation and rapid electrons transmission and moderate adsorption/desorption *** a result,the as-prepared iridium nanodots/carbon nanomaterials realize large ammonia yield of 28.73 μg h^(-1) cm^(-2) and faradic efficiency of 9.14%in KOH ***,the high ammonia yield of 11.21 μg h^(-1) cm^(-2) and faradic efficiency of 24.30%are also achieved in H_(2)SO_(4) *** microfluidic method provides a reference for large-scale fabrication of nano-sized catalyst materials,which may accelerate the progress of electrocatalytic NRR in industrialization field.

关键词： Iridium nanodots Carbon Microfluidic technology Efficient synthesis Electrocatalytic nitrogen fixation

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Optimization of biofuel supply chain integrated with petroleum refineries under carbon trade policy

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Frontiers of chemical Science and engineering 2024年第3期18卷 113-122页

作者： Wenhui Zhang Yiqing Luo Xigang Yuan chemical engineering Research Center School of Chemical Engineering and TechnologyTianjin UniversityTianjin300350China State Key Laboratory of chemical engineering Tianjin UniversityTianjin300350China

The use of fossil fuels results in significant carbon dioxide *** have been increasingly adopted as sustainable alternatives to fossil fuel to address this environmental *** petroleum refineries into biofuel supply chains is an effective approach to mitigating greenhouse gas emissions and improving environmental *** this study,an integrated supply chain optimization framework was established,considering the carbon trade *** addition,a mixed-integer nonlinear programming model was developed to optimize the selection of biomass suppliers,construction of pretreatment plants and biorefineries,integration of petroleum refineries,and selection of transportation routes with the objective of minimizing the total annual *** example is presented to illustrate the applicability of the *** optimization results show that integrating petroleum refineries into biofuel supply chains effectively mitigates carbon *** trade policies can have a direct impact on the total annual cost and carbon emissions of the supply chain.

关键词： renewable energy biofuel supply chain carbon trade policy

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Controllable Ring-opening Polymerization ofδ-Valerolactone Catalyzed by Quinolinyl-Urea/MTBD Systems

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Chinese Journal of Polymer Science 2024年第8期42卷 1103-1110页

作者： Xin-Yu Liu Liang Zhu Su-Yun Jie Bo-Geng Li State Key Laboratory of chemical engineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310058China

Due to their excellent biocompatibility and biodegradability,aliphatic polyesters are widely used in the biomedical,packaging and agricultural fields,which are usually accessed by the ring-opening polymerization(ROP)of lactones and the catalysts particularly play an important *** a series of quinolinyl-urea catalysts have been synthesized via the reaction between isocyanate and aminoquinoline with an amino group at different substitution positions and *** combination with 7-methyl-1,5,7-triazabicyclo[4,4,0]dec-5-ene(MTBD)as a cocatalyst and benzyl alcohol(BnOH)as an initiator,1-(3,5-bis(trifluoromethyl)phenyl)-3-(quinolin-3-yl)urea(3-QU)was observed to be most active for the ROP ofδ-valerolactone(δ-VL).The polymerization conditions were optimized by varying the type of organic base,catalyst concentration and reaction *** changing the ratio of[M]_0/[I],linear polyvalerolactones(PVLs)with different molecular weights and narrow molecular weight distribution were *** kinetic and chain extension experiments were carried out to prove the"living"/controllable *** the NMR experiments were used to support the proposal of possible mechanism.

关键词： Quinolinyl-urea Ring-opening polymerization PVL

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