(1) reaction-diffusion model of porous catalyst particle

(2) reaction kinetics  of MTO process

(3) coke distribution model of fluidized bed reactor

   

1. S. Peng, M. Gao, H. Li*, M. Yang, M. Ye*, Z. Liu, Control of surface barriers in mass transfer to modulate methanol‐to‐olefins reaction over SAPO‐34 zeolites, Angewandte Chemie International Edition, 2020, 59(49): 21945-21948.   

3.  M. Gao#, H. Li#, M. Yang, S. Gao, P. Wu, P. Tian, S. Xu, M. Ye*, Z. Liu*, Direct quantification of surface barriers for mass transfer in nanoporous crystalline materials, Comm. Chem. 2019, 2: 43

4.  H. Li, X. Yuan, M. Gao, Mao Ye*, Z. Liu, Study of Catalyst Coke Distribution Based on Population Balacne Theory: Application to Methanol to Olefins Process, AIChE J., 2019, 65(4): 1149-1161

5.  X. Yuan, H. Li*, M. Ye*, Z. Liu, Kinetic Modeling of Methanol to Olefins Process over SAPO-34 Catalyst Based on the Dual-Cycle Reaction Mechanism, AIChE J., 2019, 65(2): 662-674

6.  M. Gao, H. Li, M. Yang, J. Zhou, X. Yuan, P. Tian, M. Ye*, Z. Liu, A modeling study of reaction and diffusion in MTO process over SAPO-34 zeolites, Chem. Eng. J., 2019, 377: 119668.

7. Xiaoshuai Yuan, Hua Li, Mao Yao*, Zhongmin Liu, Comparative study of MTO kinetics over SAPO-34 catalyst in fixed and fluidized bed reactors，Chem. Eng. J. 2017, 329：35-44

8. Hua Li, Mao Ye, Zhongmin Liu, "A multi-region model for reaction-diffusion process within a porous catalyst pellet", Chem. Eng. Sci. 2016, 147, 1-12.

9. Bona Lu, Hao Luo, Hua Li, Wei Wang*, Mao Ye*, Zhongmin Liu, Jinghai Li, "Speeding up CFD simulation of fluidized bed reactor for MTO by coupling CRE model", Chem. Eng. Sci. 2016, 143, 341.
10. Mao Ye*, Hua Li, Yinfeng Zhao, Tao Zhang, Zhongmin Liu, "MTO Processes Development: The Key of Mesoscale Studies", Adv. Chem. Eng. 2015, 47, 279-335.
11. Yinfeng Zhao, Hua Li, Mao Ye, Zhongmin Liu, "3D Numerical Simulation of a Large Scale MTO Fluidized Bed Reactor", Ind. Eng. Chem. Res. 2013, 52, 11354-11364.
12. Zhuo Shao, Hua Li, Shiyang Zhang, Juan Li, Zuyang Dai, Yuxiang Mo, Yong Jin Bae, and Myung Soo Kim, “The Jahn-Teller effect in CH3Cl+(˜X2E): A combined high-resolution experimental measurement and ab initio theoretical study” , J. Chem. Phys. 2012, 136,064308
13. Juan Li, Hua Li, and Yuxiang Mo*， “Renner-Teller Effect, Spin-Orbit Coupling, and Fermi Resonance in BrCN+ (X˜ 2Π): A Combined Experimental and Theoretical Study”， J. Phys. Chem. A 2010, 114, 9973–9980
14. Tao Liu, Hua Li, Ming-Bao Huang*, Yong Duan*, and Zhi-Xiang Wang*, “Two-Way Effects between Hydrogen Bond and Intramolecular Resonance Effect: An Ab Initio Study on Complexes of Formamide and Its Derivatives with Water”, J. Phys. Chem. A 2008, 112, 5436-5447.
15. Hua Li and Ming-Bao Huang*, “The o-, m-, and p-benzyne radical cations: a theoretical study”, Phys. Chem. Chem. Phys. 2008, 10, 5381
16. Hua Li, Shu-Yuan Yu, Ming-Bao Huang*, and Zhi-Xiang Wang, “The S1 states of o-, m-, and p-benzyne studied using multiconfiguration second-order perturbation theory”, Chem. Phys. Lett. 2007, 450, 12.
17. Hua Li, Bo-Zhen Chen*, and Ming-Bao Huang*, “CASPT2 Investigation of Ethane Dissociation and Methyl Recombination Using Canonical Variational Transition State Theory”, Int. J. Chem. Kinet. 2008, 40,161.

Simulation of MTO Process​