Knowledge Management System Of Guangzhou Institute of Energy Conversion, CAS
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 |
ISSN | 1385-8947 |
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 |
DOI | 10.1016/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 | |
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 |
推荐引用方式 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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