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Evaluation of a mathematical model using experimental data and artificial neural network for prediction of gas separation

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Journal of Natural gas Chemistry 2008年第2期17卷 135-141页

作者： M.Peer M.Mahdyarfar T.Mohammadi Research Center for Membrane Processes Department of Chemical EngineeringIran University of Science and TechnologyNarmakTehranlran gas Division Research Institute of Petroleum IndustryTehranIran

In recent times, membranes have found wide applications in gas separation processes. As most of the industrial membrane separation units use hollow fiber modules, having a proper model for simulating this type of membrane module is very useful in achieving guidelines for design and characterization of membrane separation units. In this study, a model based on Coker, Freeman, and Fleming＇s study was used for estimating the required membrane area. This model could simulate a multicomponent gas mixture separation by solving the governing differential mass balance equations with numerical methods. Results of the model were validated using some binary and multicomponent experimental data from the literature. Also, the artificial neural network （ANN） technique was applied to predict membrane gas separation behavior and the results of the ANN simulation were compared with the simulation results of the model and the experimental data. Good consistency between these results shows that ANN method can be successfully used for prediction of the separation behavior after suitable training of the network

关键词： hollow fiber membrane gas separation mathematical modeling artificial neural network

Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing

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Frontiers of Chemical Science and Engineering 2021年第1期15卷 49-59页

作者： Huaiwei Shi Teng Zhou Process Systems Engineering Otto-von-Guericke University MagdeburgD-39106 MagdeburgGermany Process Systems Engineering Max Planck Institute for Dynamics of Complex Technical SystemsD-39106 MagdeburgGermany

Functional materials are widely used in chemical industry in order to reduce the process cost while simultaneously increase the product *** their significant effects,systematic methods for the optimal selection and design of materials are *** conventional synthesis-and-test method for materials development is inefficient and ***,the performance of the resulting materials is usually limited by the designer’s *** the past few decades,computational methods have been significantly developed and they now become a very important tool for the optimal design of functional materials for various chemical *** article selectively focuses on two important process functional materials,namely heterogeneous catalyst and gas separation *** methods and representative works for computational screening and design of these materials are reviewed.

关键词： heterogeneous catalyst gas separation solvent porous adsorbent material screening and design

Rapid hydrate formation and efficient gas separation based on aqueous solid carrier

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Chinese Journal of Chemical Engineering 2024年第10期74卷 127-132页

作者： Haibo Liu Qiang Sun Xiaodong Liu Du Sun Guangjin Chen China Oilfield Services Limited Sanhe 065201China State Key Laboratory of Heavy Oil Processing China University of Petroleum-BeijingBeijing 102249China Tarim Oilfield Branch of China National Petroleum Corporation Korla 841000China

The long hydrate induction time and limited gas-liquid contact area leads to slow hydrate formation rate and low water-hydrate conversion *** media are often used to promote hydrate formation because of their large specific surface ***,we used 3A molecular sieve as a water-carrying solid in this work,and investigated the dynamic renewal of the gas-liquid interface and its effect on hydrate *** formation kinetics of ethane hydrate was first measured in an aqueous molecular sieve *** the separation of(H_(2)+CH_(4)+C_(2)H_(6)+C_(3)H_(8))gas mixture was conducted via hydrate *** results show that the formation rate and gas storage capacity of ethane hydrate can be greatly improved by using aqueous molecular *** with a pure water system under the same temperature and pressure,aqueous molecular sieve has obvious advantages in separation effect and energy consumption for separating gas mixtures.

关键词： Hydrate Formation kinetics gas storage capacity gas separation Aqueous molecular sieve

Ultrapermeable membranes based on connected cluster of hollow polydimethylsiloxane nanoparticles for gas separation

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Particuology 2023年第8期79卷 45-53页

作者： Xiaoli Ding Fangfang Tan Hongyong Zhao Qingping Xin Yuzhong Zhang State Key Laboratory of separation Membranes and Membrane Processes National Center for International Joint Research on Separation MembranesTiangong UniversityTianjin300387China Tianjin Key Laboratory of Hollow Fiber Membrane Materials and Processes(Tiangong University) Tianjin300387China

Mixed matrix membranes(MMMs)with the performance between the matrix and the filler is a promising strategy for membranes with excellent gas *** this study,the hollow polydimethylsiloxane nanoparticles were synthesized and then incorporated with the poly(oxide ethylene)monomer and tri-functional cross-linker to form mixed matrix membranes by in situ *** hollow nanoparticles formed the independent closed nanocavities in membranes,which enhanced the gas permeability contributed by both the improved diffusivity and *** high loading,the hollow polydimethylsiloxane nanoparticle was converted into the continuous phase with the cross-linked poly(oxide ethylene)as the dispersed *** preferred to permeate through the connected cluster of hollow polydimethylsiloxane nanoparticles,finally leading to ultrahigh gas per-meabilities far going beyond the instinct values of polydimethylsiloxane and the cross-linked poly(oxide ethylene).The optimized membrane with 34 wt%hollow nanoparticles loadings exhibited ultrahigh permeabilities with the values of 44186 Barrer for CO_(2) and 11506 Barrer for O_(2),accompanied with a CO_(2)/N_(2) selectivity of 9.9 and an O_(2)/N_(2) selectivity of 2.6,which exceeded the 2008 Robeson upper bound for O_(2)/N_(2) and located at the 2008 Robeson upper bound for CO_(2)/N_(2).

关键词： Hollow nanoparticles Polydimethylsiloxane nanoparticles Mixed matrix membranes Nanocavity gas separation

Remarkably Improved gas separation Performance of Polyimides by Forming“Bent and Battered”Main Chain Using Paracyclophane as Building Block

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Chinese Journal of Polymer Science 2023年第10期41卷 1617-1628页

作者： Lu-Jun Huang Ya-Tao Weng Aqib Raiz Zhi-Jie Mao Xiao-Hua Ma State Key Laboratory of separation Membranes and Membrane Processes Tiangong UniversityTianjin300387China School of Materials Science and Engineering Tiangong UniversityTianjin300387China Jiangxi Key Laboratory of Organic Chemistry Jiangxi Science&Technology Normal UniversityNanchang330013China

The design and development of highly permeable,selective and stable polymer membranes are great challenges in the gas separation ***,we constructed two intrinsic microporous polyimides(6FPCA and 6FMCA)derived from two isometric diamines(PCA and MCA),which were synthesized by palladium catalyzed C—N coupling *** PCA and MCA diamines contain a hollow beaded structure of 2,2′-paracyclophane as a building block with a specified window size of 3.09Å.The chemical structures of monomers,polyimides were confirmed by NMR,FTIR,and elementary analysis.6FPCA and 6FMCA exhibit good solubility,excellent thermal stability,and mechanical properties.6FPCA exhibits much larger microporosity(434 versus 120 m2·g−1),FFV(0.22 versus 0.15),d-spacing(6.9 versus 5.9Å),and over 10 times higher permeability with a very little decrease in selectivity than the corresponding polyimide(6FpA)with a plane structure,which remarkably increased their separation performance from far below the 2008 Robeson Upper bounds to reach these limitations for O2/N2 and CO2/***,the 6FPCA also demonstrates good plasticization resistance,moderate aging properties,and high CO2/CH4 mixed-gas separation *** results indicate that paracyclophane subunit can be successfully incorporated into polymers to enhance their ultra-microporosity and separation properties,which open a new avenue for developing high performance gas separation membranes with topological ultra-micropores.

关键词： Polyimide of intrinsic microporosity 2,2'-Paracyclophane Molecular intrinsic microporosity gas separation Permeability/selectivity trade-off

Highly Durable MIL-96 Membranes via a One-step Active γ-Alumina Conversion Strategy for gas separation

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Chemical Research in Chinese Universities 2023年第6期39卷 1084-1091页

作者： GAO Zhuangzhuang LI Baoju OU Shuxian LI Dongsheng FANG Qianrong QIU Shilun XUE Ming State Key Laboratory of Inorganic Synthesis&Preparative Chemistry Jilin UniversityChangchun 130012P.R.China School of Chemical Engineering and Technology Sun Yat-sen UniversityZhuhai 519082P.R.China

Metal-organic frameworks(MOFs)are attractive in membrane separation due to their special pore structure and suitable aperture *** fabrication of defect-free and robust MOF membranes with excellent durability is highly demanded but remains *** this work,we report a one-step activeγ-alumina conversion strategy for the facile and reliable fabrication of an MIL-96 *** this case,theγ-Al_(2)O_(3) sol was dip-coated and sintered on theα-Al_(2)O_(3) disc as the active aluminum source and substrate for the nucleation and growth of MOF.A continuous and well-intergrown MIL-96 membrane was generated with exceptional stability due to the strong adhesion to the *** resultant MIL-96 membrane yielded a satisfactory H_(2)/CO_(2) permselectivity and high-temperature resistance,delivering a selectivity of 12.35 with H_(2) permeance of 6.20×10^(−7) mol·m^(−2)·s^(−1)·Pa^(−1) at 150℃.Moreover,the probe membrane presented remarkable durability and recyclability under harsh hydrothermal *** method paves the way for constructing highly stable and selective MOF membranes and could accelerate the development of advanced membrane separation technologies for gas purification and recycling in addressing the severe energy and environmental problems.

关键词： Metal-organic framework Membrane Activeγ-alumina gas separation Hydrothermal stability

Microwave-heating Synthesis and gas separation Performance of NaA Zeolite Membrane

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Chinese Journal of Chemistry 2005年第1期23卷 28-31页

作者：程志林刘赞万惠霖 ShanghaiKeyLaboratoryofGreenChemistryandChemicalProcesses ChemistryDepartmentofEastChinaNormalUniversityShanghai200062China ShanghaiPetrochemicalResearchInstituteofSINOPEC Shanghai201208China StateKeyLaboratoryforPhysicalChemistryofSolidSurface ChemistryDepartmentofXiamenUniversityXiamenFujian361005China

The paper presented novel synthesis of NaA zeolite membrane with goodperformance using microwave heating. The method involved two steps, prior seeding 120 nm of LTAcrystals on substrate and then employing a secondary hydrothermal synthesis. Effects of seedingtimes, synthesis time and synthesis times were investigated in this work. The quality evaluation ofmembranes respectively used single component gases (H_2 and N_2) and H_2/N_2 (equivalent volume)mixture. The ideal H_2/N_2 selectivity increased from 1.90 of the substrate to 6.37 of thethree-stage synthesized membrane, which was distinctly higher than the corresponding Knudsendiffusion selectivity of 3.74. However, the real H_2/N_2 selectivity of the three-stage synthesiswas much lower than the corresponding ideal selectivity and close to the corresponding Knudsendiffusion selectivity of 3.74.

关键词： NaA zeolite membrane gas separation microwave heating

Smart light-responsive hierarchical metal organic frameworks constructed mixed matrix membranes for efficient gas separation

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Green Chemical Engineering 2022年第1期3卷 71-82页

作者： Qingping Xin Xueting Cao Dandan Huang Shuo Li Xinghui Zhang Guangyu Xuan Mengting Wei Lei Zhang Xiaoli Ding Yuzhong Zhang School of Materials Science and Engineering State Key Laboratory of Separation Membranes and Membrane ProcessesTiangong UniversityTianjin300387China

One type of new light-responsive hierarchical metal organic framework(MOF) has been successfully prepared using Co(NO_(3))_(3)·6H_(2)O as the metal salt and 4,4’-azobenzenedicarboxylic acid as the ligand by microwave method for the first time. It is found that MOF [Co(Az DC)] exhibits a light-responsive characteristic to SO_(2)adsorption due to the presence of azo group from the ligand. The light-responsive hierarchical MOFs are incorporated into Matrimid■ 5218(PI) matrix to prepare mixed matrix membranes(MMMs) for gas separation application. The morphology, crystallinity, chain mobility and thermal stability of MMMs are explored. Results show that Co(Az DC) may elevate both the CO_(2)(SO_(2)) permeability and CO_(2)(SO_(2))/N_(2)selectivity of the MMMs. In particular,the Co(Az DC) doped MMMs exhibit the significantly improved CO_(2)(SO_(2))/N_(2)selectivity from 33(123) for PI control membrane to 78(420) for MMMs, overcoming the 2008 Robeson upper bound for CO_(2)/N_(2)system. Sizesieving effect of Co(Az DC) with pore size 0.35 nm enhances the selectivity, while the –N=N– group from Co(Az DC) shows affinity to CO_(2)molecular rather than N_(2), also elevating selectivity of MMMs. In brief, enhanced selectivity of high-performance membrane is attributed to incorporation of Co(Az DC) particles, which displays synergistic effects both in size-sieving and CO_(2)-philic interaction for CO_(2)/N_(2)separation. Smart highly selective interface is constructed in MMMs by switching the configuration of MOFs from cis to trans. The SO_(2)permeability and SO_(2)/N_(2)selectivity of MMMs are investigated under both visible light and ultraviolet light states, and the SO_(2)/N_(2)separation performance under visible light is notably improved in comparison with that under ultraviolet light state.

关键词： Mixed matrix membranes Matrimid■5218 Metal-organic framework Light-responsive characteristic gas separation

Design of metal-organic framework membranes towards ultimate gas separation

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Green Chemical Engineering 2021年第1期2卷 14-16页

作者： Yanwei Sun Yi Liu State Key Laboratory of Fine Chemicals School of Chemical EngineeringDalian University of TechnologyDalian116024China

Metal-organic framework(MOF)membranes have shown unprecedented opportunities for energy efficient separation of diverse industrially important gas pairs(e.g.H_(2)/CO_(2),CO_(2)/N_(2),CO_(2)/CH_(4),and C3H6/C3H8).Among the various factors,microstructure manipulation(including thickness,orientation,and grain boundary structure)and framework tuning(including pore size,framework rigidity/flexibility,and stimuli responsiveness)of MOF membranes have been found playing dominant roles in their separation *** this perspective,we highlighted some recent progress in polycrystalline MOF membranes with emphasis on the elucidation of the structure-performance relationship at different scales.

关键词： Metal organic frameworks gas separation Membranes Microstructure Orientation