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Pore-scale investigation on multiphase reactive transport for the conversion of levulinic acid to gamma-valerolactone with Ru/C catalyst
Wei, Xiangqian1,2; Li, Wenzhi1; Liu, Qiying2; Sun, Weitao1,2; Liu, Siwei2; Li, Song2; Wei, Haoyang1,2; Ma, Longlong2,3
2022
发表期刊CHEMICAL ENGINEERING JOURNAL
ISSN1385-8947
卷号427页码:13
通讯作者Li, Wenzhi(liwenzhi@ustc.edu.cn) ; Ma, Longlong(mall@ms.giec.ac.cn)
摘要Hydrogenation of levulinic acid (LA) into gamma-valerolactone (GVL) with Ru/C catalytic system involves homogeneous/heterogeneous reactions, multiphase mass transfer and hydrogen dissolution. The understanding of these physiochemical phenomena is fundamental to propose the performance improvement strategies in such reaction system. In this study, a pore-scale multiphase reactive transport model based on the lattice Boltzmann method (LBM) is developed to simulate the conversion of LA to GVL over Ru/C catalyst. A Carnahan-Starling equation of state (CS EOS) modified Shan-Chen pseudopotential model is applied for gas-liquid flow. The model is validated by comparing the simulation predictions with existing experimental results. Simulation results show that the intra-particle diffusion distance of hydrogen is shorter than that of LA. The LA consumption rate is found to be determined by temperature and dissolved hydrogen when the average concentration of LA is higher than a critical value (about 0.5 mol/L). Notable negative effect of LA intra-particle mass transfer on the reaction has been observed for the LA average concentration lower than 0.5 mol/L. The reaction-generated water would result in a little inhibition on LA hydrogenation. To enhance the utilization of catalyst and reduce the local transport resistant, hollow spheres or coating catalyst are more effective for this system. We demonstrate the usefulness of the present pore-scale LB model in providing guidance for efficient hydrogenation LA into GVL.
关键词Multiphase reactive transport Lattice Boltzmann method Porous catalyst pellet Reaction-generated water Gas-liquid interface
DOI10.1016/j.cej.2021.130917
关键词[WOS]HYDROGENATION ; PLATFORM ; FLOWS ; MODEL ; FUELS
收录类别SCI
语种英语
资助项目National Key R&D program of China[2018 YFB1501402] ; National Natural Science Foundation of China[51976220] ; Key research and development projects in Anhui Province[202004a06020053]
WOS研究方向Engineering
项目资助者National Key R&D program of China ; National Natural Science Foundation of China ; Key research and development projects in Anhui Province
WOS类目Engineering, Environmental ; Engineering, Chemical
WOS记录号WOS:000729141800004
出版者ELSEVIER SCIENCE SA
引用统计
被引频次:19[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.giec.ac.cn/handle/344007/35528
专题中国科学院广州能源研究所
通讯作者Li, Wenzhi; Ma, Longlong
作者单位1.Univ Sci & Technol China, Lab Basic Res Biomass Convers & Utilizat, Dept Thermal Sci & Energy Engn, Hefei 230026, Peoples R China
2.Chinese Acad Sci, Guangzhou Inst Energy Convers, CAS Key Lab Renewable Energy, Guangzhou 510640, Peoples R China
3.Univ Sci & Technol China, Dept Thermal Sci & Energy Engn, Hefei 230026, Peoples R China
第一作者单位中国科学院广州能源研究所
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GB/T 7714
Wei, Xiangqian,Li, Wenzhi,Liu, Qiying,et al. Pore-scale investigation on multiphase reactive transport for the conversion of levulinic acid to gamma-valerolactone with Ru/C catalyst[J]. CHEMICAL ENGINEERING JOURNAL,2022,427:13.
APA Wei, Xiangqian.,Li, Wenzhi.,Liu, Qiying.,Sun, Weitao.,Liu, Siwei.,...&Ma, Longlong.(2022).Pore-scale investigation on multiphase reactive transport for the conversion of levulinic acid to gamma-valerolactone with Ru/C catalyst.CHEMICAL ENGINEERING JOURNAL,427,13.
MLA Wei, Xiangqian,et al."Pore-scale investigation on multiphase reactive transport for the conversion of levulinic acid to gamma-valerolactone with Ru/C catalyst".CHEMICAL ENGINEERING JOURNAL 427(2022):13.
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