一个三界面随机孔隙模型:化学环和绿钢技术中氧化铁的还原

IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Jasper J. Wong, Diana Iruretagoyena, Nilay Shah, Paul S. Fennell
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The structural reaction–diffusion model is able to describe three simultaneously reacting oxide layers, <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mtext>O</mml:mtext> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> </mml:math> , magnetite ( <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mtext>O</mml:mtext> <mml:mrow> <mml:mn>4</mml:mn> </mml:mrow> </mml:msub> </mml:math> ) and wustite ( <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mi>w</mml:mi> </mml:mrow> </mml:msub> <mml:mtext>O</mml:mtext> </mml:math> ). The geometric nature of the model encodes structural information about the particles (porosity, surface area, pore length and size distribution), measured here by experiment. The model is usefully able to separate structural particle properties from individual rates of reaction and product layer diffusion. The results have been compared and fitted to thermogravimetric experiments between <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:mn>800</mml:mn> <mml:mtext>–</mml:mtext> <mml:msup> <mml:mn>1000</mml:mn> <mml:mrow> <mml:mo>∘</mml:mo> </mml:mrow> </mml:msup> <mml:mrow> <mml:mi mathvariant=\"normal\">C</mml:mi> </mml:mrow> </mml:math> and three <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:mrow> <mml:mi mathvariant=\"normal\">CO</mml:mi> </mml:mrow> <mml:mrow> <mml:mo>/</mml:mo> </mml:mrow> <mml:msub> <mml:mtext>CO</mml:mtext> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> gas mixtures. Rate constants for each indvidual reaction have been obtained and fit well to Arrhenius plots. The reduction of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mtext>O</mml:mtext> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> <mml:mtext>–</mml:mtext> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mtext>O</mml:mtext> <mml:mrow> <mml:mn>4</mml:mn> </mml:mrow> </mml:msub> </mml:math> was controlled by diffusion and reaction kinetics, while the reduction of <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mtext>O</mml:mtext> <mml:mrow> <mml:mn>4</mml:mn> </mml:mrow> </mml:msub> <mml:mtext>–</mml:mtext> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mi>w</mml:mi> </mml:mrow> </mml:msub> <mml:mtext>O</mml:mtext> </mml:math> and <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"> <mml:msub> <mml:mtext>Fe</mml:mtext> <mml:mrow> <mml:mi>w</mml:mi> </mml:mrow> </mml:msub> <mml:mtext>O</mml:mtext> </mml:math> –Fe was limited by reaction kinetics. Metallization rates of the iron oxide powders were rapid, showing promise for both hydrogen-based direct reduced iron and chemical looping processes.","PeriodicalId":20716,"journal":{"name":"Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences","volume":"43 1","pages":"0"},"PeriodicalIF":2.9000,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A three-interface random pore model: the reduction of iron oxide in chemical looping and green steel technologies\",\"authors\":\"Jasper J. Wong, Diana Iruretagoyena, Nilay Shah, Paul S. 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引用次数: 0

摘要

多孔氧化铁粉末或细颗粒气体还原的准确建模对于工业(i)重新发明钢铁的碳密集型生产和(ii)碳捕获和储存领域的化学环技术非常重要。建立了一种新的三界面随机孔隙模型,并将其应用于赤铁矿(fe2o3)气相还原成铁(Fe)。结构反应-扩散模型能够描述三种同时反应的氧化层,即fe2o3、磁铁矿(fe3o4)和浮氏体(few O)。模型的几何性质编码了有关颗粒的结构信息(孔隙率,表面积,孔隙长度和尺寸分布),在这里通过实验测量。该模型能够有效地从单个反应速率和产物层扩散中分离出结构颗粒的性质。将结果与800 - 1000°C和三种CO / CO 2气体混合物的热重实验进行了比较和拟合。得到了每个反应的速率常数,并与阿伦尼乌斯图拟合得很好。fe2o3 - fe2o3的还原受扩散动力学和反应动力学控制,而fe2o3 - fe2o3和fe2o3 - Fe的还原受反应动力学限制。氧化铁粉末的金属化速度很快,在氢基直接还原铁和化学环工艺中都有应用前景。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A three-interface random pore model: the reduction of iron oxide in chemical looping and green steel technologies
Accurate modelling of the gaseous reduction of porous iron oxide powders or fines is important in industry for (i) reinventing the carbon intensive production of iron and steel and (ii) chemical looping technologies in the sphere of carbon capture and storage. A new three-interface random pore model is derived and applied to the gaseous reduction of hematite ( Fe 2 O 3 ) to iron (Fe). The structural reaction–diffusion model is able to describe three simultaneously reacting oxide layers, Fe 2 O 3 , magnetite ( Fe 3 O 4 ) and wustite ( Fe w O ). The geometric nature of the model encodes structural information about the particles (porosity, surface area, pore length and size distribution), measured here by experiment. The model is usefully able to separate structural particle properties from individual rates of reaction and product layer diffusion. The results have been compared and fitted to thermogravimetric experiments between 800 1000 C and three CO / CO 2 gas mixtures. Rate constants for each indvidual reaction have been obtained and fit well to Arrhenius plots. The reduction of Fe 2 O 3 Fe 3 O 4 was controlled by diffusion and reaction kinetics, while the reduction of Fe 3 O 4 Fe w O and Fe w O –Fe was limited by reaction kinetics. Metallization rates of the iron oxide powders were rapid, showing promise for both hydrogen-based direct reduced iron and chemical looping processes.
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来源期刊
CiteScore
6.40
自引率
5.70%
发文量
227
审稿时长
3.0 months
期刊介绍: Proceedings A has an illustrious history of publishing pioneering and influential research articles across the entire range of the physical and mathematical sciences. These have included Maxwell"s electromagnetic theory, the Braggs" first account of X-ray crystallography, Dirac"s relativistic theory of the electron, and Watson and Crick"s detailed description of the structure of DNA.
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