基于详细机理动力学的费-托合成单颗粒催化剂模拟Ⅰ. 颗粒模型化与数值计算方法

催化学报 , 2001, 22(1): 35-39.

基于详细机理动力学的费-托合成单颗粒催化剂模拟Ⅰ. 颗粒模型化与数值计算方法

王逸凝 ^1, , 李永旺 ^2, , 徐元源 ^3, , 赵玉龙 ^4, , 张碧江 ^5,

1.中国科学院山西煤炭化学研究所

2.中国科学院山西煤炭化学研究所

3.中国科学院山西煤炭化学研究所,

4.中国科学院山西煤炭化学研究所

5.中国科学院山西煤炭化学研究所,

基金项目: 中国科学院基础研究项目国家自然科学基金(29673054)

关键词：费-托合成 , 催化剂单颗粒模型 , 液蜡 , 有限元正交配置法

Modeling of Fischer-Tropsch Catalyst Pellet on Basis of Detailed Mechanism Kinetics Ⅰ. Catalyst Pellet Modeling and Numerical Computing Method

基于详细机理动力学的研究成果,讨论了费-托合成单颗粒催化剂在液蜡填充情形下的详细模型化问题,建立了针对这一复杂多重反应体系的多组分扩散-反应的等温和非等温颗粒模型. 在此基础上,从催化剂设计灵活定位考虑,进一步建立了模型方程的有限元正交配置数值计算方法.

Based on detailed mechanism kinetics, the problem concerning modeling of wax-fi lled Fischer-Tropsch catalyst was discussed. In view of complex multiple reacti on feature of this system, multi-component diffusion-reaction models in isothe rmal and non-isothermal cases are constructed for the first time. Furthermore, to locate active layer accurately in catalyst design efforts, the orthogonal col location on finite elements is adopted as numerical computing method for the res ulting pellet model equations.

参考文献

[1]	Satterfield C N;Huff G A Jr;Stenger H G et al.[J].Industrial and Engineering Chemistry Research,1985,24(04):450.
[2]	Post M F M;van't Hoog A C;Minderhoud J K et al.[J].AICHE Journal,1989,35(07):1107.
[3]	Zimmerman W H;Rossin J A;BukurDB .[J].Industrial and Engineering Chemistry Research,1989(28):406.
[4]	Atwood H E;Bennett C O .[J].Industrial & Engineering Chemistry Process Design and Development,1979,18(01):163.
[5]	Bub G;Baerns M;Büssemeier B et al.[J].Chemical Engineering Science,1980(35):348.
[6]	王逸凝,李永旺,徐元源,赵玉龙,张碧江.固定床费托合成（FTS）工程模型开发--工程问题与模型化[J].燃料化学学报,1999(z1):111-122.
[7]	王逸凝,李永旺,赵玉龙,张碧江.固定床费托（FT）合成单颗粒催化剂模拟[J].化学反应工程与工艺,2000(02):109.
[8]	马文平,李永旺,赵玉龙,徐元源,周敬来.工业Fe-Cu-K催化剂上费托合成反应动力学（Ⅰ）基于机理的动力学模型[J].化工学报,1999(02):159-166.
[9]	马文平,李永旺,赵玉龙,周敬来,钟炳.工业Fe-Cu-K催化剂上费托合成反应动力学（Ⅱ）模型筛选与参数估值[J].化工学报,1999(02):167-173.
[10]	Wang Y.-N.;Bai L.;Zhao Y.-L.;Zhang B.-J.;Li Y.-W. .Correlation for gas-liquid equilibrium prediction in Fischer-Tropsch synthesis[J].Fuel,1999(8):911-917.
[11]	Lox E S;Froment G F .[J].Industrial and Engineering Chemistry Research,1993,32(01):71.
[12]	Finlayson B A.Nonlinear Analysis in Chemical Engineering[M].New York: McGraw -Hill,1980:113.
[13]	Villadsen J;Michelsen M L.Solution of Differential Equation Models by Poly nomial Approximation[M].Englewood Cliffs (New Jersey): Prentice-Hall Internat Ser,1978:111.
[14]	More J;Garbow B;Hillstrom R.User Guide for Minpack-1[M].Argonne:ArgonneNationalLab,1980
[15]	Finlayson B A.Nonlinear Analysis in Chemical Engineering[M].NewYork:McGraw-Hill,1980:113.
[16]	Villadsen J;Michelsen M L.Solution of Differential Equation Models by Poly nomial Approximation[M].Englewood Cliffs(NewJersey):Prentice-HallInternatSer,1978:111.
[17]	Post M F M;van't Hoog A C;Minderhoud J K .[J].AIChE Iournal,1989,35(07):1107.
[18]	Satterfield C N;Huff G A Jr;Stenger H G .[J].Industrial and Engineering Chemistry Research,1985,24(04):450.
[19]	Atwood H E;Bennett C O .[J].Industrial & Engineering Chemistry Process Design and Development,1979,18(01):163.
[20]	Zimmerman W H;Rossin J A;BukurDB .[J].Industrial and Engineering Chemistry Research,1989(28):406.
[21]	Lox E S;Froment G F .[J].Industrial and Engineering Chemistry Research,1993,32(01):71.
[22]	Wang Y.-N.;Bai L.;Zhao Y.-L.;Zhang B.-J.;Li Y.-W. .Correlation for gas-liquid equilibrium prediction in Fischer-Tropsch synthesis[J].Fuel,1999(8):911-917.
[23]	王逸凝,李永旺,赵玉龙,张碧江.固定床费托（FT）合成单颗粒催化剂模拟[J].化学反应工程与工艺,2000(02):109.
[24]	王逸凝,李永旺,徐元源,赵玉龙,张碧江.固定床费托合成（FTS）工程模型开发--工程问题与模型化[J].燃料化学学报,1999(z1):111-122.
[25]	马文平,李永旺,赵玉龙,徐元源,周敬来.工业Fe-Cu-K催化剂上费托合成反应动力学（Ⅰ）基于机理的动力学模型[J].化工学报,1999(02):159-166.
[26]	马文平,李永旺,赵玉龙,周敬来,钟炳.工业Fe-Cu-K催化剂上费托合成反应动力学（Ⅱ）模型筛选与参数估值[J].化工学报,1999(02):167-173.
[27]	Bub G;Baerns M;Büssemeier B .[J].Chemical Engineering Science,1980(35):348.

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