ADSORPTION STUDY OF ETHYLBENZENE AND PARA-XYLENE ON EUO ZEOLITE BY MONTE CARLO SIMULATION

Abstract

Abstract: The adsorption behavior of ethyl benzene and para-xylene on four EUO zeolites with different Si/Al ratio was studied under high temperature conditions by means of the macro-canonical statistics ensemble Monte Carlo simulation and validated by the catalytic reaction of industrial samples. GCMC simulation shows that the adsorption energy of PX in EUO zeolite is slightly higher than that of EB; PX is mainly adsorbed in the straight pore channel, while EB is adsorbed in the side cage, the Bronsted acid produced by Al atom can block the diffusion of adsorbed mass, which leads to more ladder platform in the adsorption isotherm of PX; the blockage caused by carbon deposition has a greater effect on PX diffusion, so the generation of by-product toluene will decay more rapidly than that of ethylbenzene.

CLC Number:

References

[ ] 吴巍．芳烃联合装置生产技术进展及成套技术开发[J]．石油学报（石油加工），2015，31(2)：275-281
[ ] Guisnet M, Gnep N S, Morin S. Mechanisms of xylene isomerization over acidic solid catalysts[J].Microporous and mesoporous materials, 2000,35(36): 47-59
[ ] 康承琳，周震寰，吴巍，等. 乙基环己烷在择形分子筛上的异构化反应.石油炼制与化工[J]，2012,43(5):1-5
[ ] 阮迟，冯小兵，胡满生，等. 低铂脱乙基型C8芳烃异构化催化剂的工业应用.石油炼制与化工[J]，2013,45（2）:64-68
[ ] 周震寰，贾树岩，张培贵,等. ZSM-5分子筛酸性修饰及探针分子表征[J]. 石油炼制与化工，2016,47(3):5-9
[ ] 戴厚良.芳烃生产技术展望[J].石油炼制与化工，2013,44(1):1-10
[ ] 周震寰，张爱军，胡维军，等. 碳八芳烃异构化分子筛的酸性与反应分析[J].石油炼制与化工，2017，48(11)：76-81
[ ] 康承琳，周震寰，冯小兵，等. ZSM-5分子筛酸性质对二甲苯异构化反应的影响[J].石油炼制与化工，2013,44（12）:35-41
[ ] 胡家芬，蔡健健，黄月芳，等. 二甲苯异构化催化剂的表面酸性及其催化活性[J].催化学报，1985，6(4)：325-331
[ ] 孙晓岩，宋泓阳，项曙光, ZSM-5 分子筛上氯乙酸和二氯乙酸吸附行为的蒙特卡罗研究[J].计算机与应用化学，2017，34（2）：109-113
[ ] 丁雪，刘熠斌，杨朝合，等. FCC干气在ZSM-5分子筛中吸附的分子模拟及热力学分析[J]. 石油炼制与化工，2015，46（9）：58-64
[ ] Bauer F, Bilz E, Freyer A. C-14 studies in xylene isomerization on modified HZSM-5[J]. Applied Catalysis A: General, 2005, 289: 2-9
[ ] 赵仁殿，金彰礼，陶志华，等，芳烃工学[M]. 北京：化学工业出版社，2001.8：158

[1]	. EFFECT OF Y AND BETA MOLECULAR SIEVES ON HYDROCRACKING OF NAPHTHENIC STRAIGHT-RUN DIESEL FRACTION [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 72-78.
[2]	. RESEARCH OF DENITRATION PERFORMANCE OF V₂O₅-MoO₃/TiO₂ CATALYST [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 79-85.
[3]	Zhao Chenxi Fang You Zeng Wenqin. APPLICATION OF RG SERIES GUARD CATALYSTS IN HIGH ACID NAPHTHENIC VGO HYDROCRACKING UNIT [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 86-91.
[4]	. PURIFICATION TEST OF ELECTRIC DESALTING WASTEWATER BY INORGANIC MEMBRANE [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 131-135.
[5]	. ANALYSIS OF HIGH COD IN WASTEWATER FROM FCC FLUE GAS DeSOx/DeNOx UNIT AND MEASURES [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 126-130.
[6]	. COMPARISON OF AROMATICS EXTRACTION OPERATION CONDITIONS OF REFORMING DEPENTANIZER OIL AND HYDROTREATED PYROLYSIS GASOLINE AS FEEDS [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 43-47.
[7]	. COMMERCIAL TEST OF SULFUR TRANSFER BY CATALYTIC DISTILLATION-ALKYLATION DESULFURIZATION FOR FCC GASOLINE [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 48-53.
[8]	. APPLICATION OPTIMIZATION OF HYDROUPGRADING TECHNOLOGY FOR INFERIOR FEEDSTOCK [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 32-36.
[9]	. NEW PROCESS FOR PYROLYSIS AND GASIFICATION OF LOW RANK COAL BY FLUIDIZED BED [J]. China Petroleum Processing Petrochemical Technology, 2021, 52(1): 27-31.
[10]	Xin Dingye Wu Xiaocan Qi Hongwei Feng Zhongwei. OPERATION ANALYSIS OF REDUCING DIESEL/GASOLINE RATIO OF DIESEL HYDRO-UPGRADING UNIT [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 37-42.
[11]	. CALCULATION OF EFFECTIVE DIFFUSION COEFFICIENT OF GAS PHASE IN C₈AROMATICS ISOMARIZATION CATALYST [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 54-58.
[12]	. EFFECT OF WATER ON CATALYTIC PERFORMANCE OF 3Si-5P-3Mg-ZSM-5 CATALYST FOR ALKYLATION OF TOLUENE WITH METHANOL [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 66-71.
[13]	. PREPARATION OF ACTIVATED CARBON FROM DWACTIVED RESIN CATALYST AND ITS APPLICATION IN ADSORPTION DESULFURIZATION FOR LPG [J]. Petroleum Processing and Petrochemicals, 2021, 52(1): 59-65.
[14]	. APPLICATION OF MAGNETIC SEPARATION TECHNOLOGY IN PETROLEUM AND CHEMICAL INDUSTRY [J]. China Petroleum Processing Petrochemical Technology, 2021, 52(1): 20-26.
[15]	. REVIEW AND APPLICATION PROSPECT ON DISTRIBUTED HYDROGEN PRODUCTION TECHNOLOGY [J]. China Petroleum Processing Petrochemical Technology, 2021, 52(1): 1-9.