Research Group on 

Structured Thermodynamics and Micro/Nano Chemical Engineering

Publications
2021

  1. Y Zhang*, B Zhou, Z Wei, W Zhou, D Wang, J Tian, T Wang*, S Zhao, J Liu, L Tao, S Wang*. Coupling glucose‐assisted Cu(I)/Cu(II) redox with electrochemical hydrogen production. Adv. Mater. 33 (2021) 2104791.

  2. J Xu, W Tang, C Yang, I Manke, N Chen, F Lai, Ting Xu, S An*, H Liu, Z Zhang, Y Cao, N Wang, S Zhao, D Niu*, R Chen*. 

    A highly conductive COF@CNT electrocatalyst boosting polysulfide conversion for Li–S chemistry. ACS Energy Lett. 2021, 6,3053.

     
  3. Y Guo, L Zhang, Y Yang, Z Xu, B Bao*, Pore-scale investigation of immiscible displacement in rough fractures. J. Petrol. Sci. Eng. 2021, 207, 109107.

  4. Y Guo, L Zhang, H Sun, Y Yang, Z Xu, B Bao*, J Yao, The simulation of liquid flow in the pore network model of nanoporous media. J. Energy. Resour. Technol. 2021, 143, 033006.

  5. B Bao*, S Zhao, A review of experimental nanofluidic studies on shale fluid phase and transport behaviors. J. Nat. Gas. Sci. Eng. 2021, 86, 103745.

  6. B Bao, J Qiu, F Liu, Q Fan, W Luo, S Zhao*, Capillary trapping induced slow evaporation in nanochannels. J. Petrol. Sci. Eng. 2021, 196, 108084.

  7. B Bao, Z Wang, D Thushara, A Liyanage, S Gunawardena, Z Yang, S Zhao*, Recent advances in microfluidics-based chromatography-A mini review. Separations 2021, 8, 3.

  8. B Bao*, J Feng, J Qiu, S Zhao*, Direct measurement of minimum miscibility pressure of decane and CO2 in nanoconfined channels.  ACS Omega 2021, 6, 943.

  9. X Song, J Ma, T Long, X Xu, S Zhao*, H Liu. Mechanochemical cellular membrane internalization of nanohydrogels: A large-scale mesoscopic simulation. ACS Appl. Mater. Interfaces. 2021, 13, 123.

  10. C Qiao#, T Zhao#, X Yu, L Qing, B Bao, S Zhao*, H Liu, On the relation between dynamical density functional theory and Navier-Stokes equation. Chem. Eng. Sci. 2021, 230, 116203.

  11. J Qiu, B Bao*, S Zhao*, X Lu, Microfluidics-based determination of diffusion coefficient for gas-liquid reaction system with hydrogen peroxide.  Chem. Eng. Sci. 2021, 231, 116248.

  12. J Ma, X Song, B Peng*, T Zhao, J Luo, R Shi, S Zhao*, H L. Liu, Multiscale molecular dynamics simulation study of polyoxyethylated alcohols self-assembly in emulsion systems. Chem. Eng. Sci. 2021, 231, 116252.

  13. C Lu, W Tang, Z Dou, P Xie, X Xu*, S Zhao*. A reaction density functional theory study of solvent effects on keto-enol tautomerism and isomerization in pyruvic acid. Chin. J. Chem. Eng. 2021, 31, 10-16.

  14. Q Qiu, X Xu*, Y Wang*. Phase behavior of partially charged polyelectrolyte solutions with salt: A theoretical study. Macromol. Theor. Simul. 2021 30, 2000098.

  15. Y Li, T Zhao, L Y. Qing, H Yu, X Xu*, P Li, S Zhao*, Solvation dynamics in simple fluids: Effect of solute size and potential. Chem. Eng. Sci. 2021, 232,116371.

  16. X Qing, J Song, J Jin, S Zhao*, Nonlinear model predictive control for distributed parameter systems by time-space-coupled model reduction. AlChE J. 2021, 67, e17246.

  17. X Song, J Zhou, C Qiao, X Xu, S Zhao*, H Liu. Engulfing behavior of nanoparticles into thermoresponsive microgels: A mesoscopic simulation study. J. Phys. Chem. B. 2021, 125, 2994.

  18. T Zhao, L Qing, T Long, X Xu, S Zhao*, X Lu. Dynamical coupling of ion adsorption with fluid flow in nanopores. AIChE. J. 2021, 67, e17266.

  19. W Tang, H Yu, T Zhao, L Qing, X Xu, S Zhao*. A dynamic reaction density functional theory for interfacial reaction-diffusion coupling at nanoscale. Chem. Eng. Sci. 2021, 236, 116513.

  20. W Tang, Z Dou, Y Li, X Xu, S Zhao*. Transfer free energy of micro-hydrated ion clusters from water into acetonitrile solvent. Chem. Eng. Sci. 2021, 237, 116561.

  21. P Tian, B Zhang, J Chen, J Zhang, L Huang, R Ye, B Bao*, M Zhu. Curvature-induced electronic tuning of molecular catalysts for CO2 reduction. Catal. Sci. Technol. 2021, 11, 7, 2491-2496.

  22. L Qing, T Long, H Yu, Y Li, W Tang, B Bao, S Zhao*. Quantifying ion desolvation effects on capacitances of nanoporous electrodes with liquid electrolytes. Chem. Eng. Sci. 2021, 240, 116662.

  23. T Zhao, C Qiao, X Xu, S Zhao*. Self-consistent equations governing the dynamics of non-equilibrium binary colloidal systems. Chem. Eng. Sci. 2021, 241, 116623.

  24. J Qiu, W Tang, B Bao*, S Zhao*. Microfluidic-based in-situ determination for reaction kinetics of hydrogen peroxide decomposition. Chem. Eng. J. 2021, 424, 130486.

  25. Y Li, L Qing, H Yu, Y Peng, X Xu*, P Li, S Zhao*. Dynamical density functional theory for solvation dynamics in polar solvent: Heterogeneous effect of solvent orientation. Chem. Eng. Sci. 2021, 246, 116978.

  26. Z Fang, J Tao, X Yu*, S Zhao*, H Liu, S Tu. Achieving an ultralow emission of nitrogen oxides by using activated carbon with hydrophobic modification. J. Clean. Prod. 2021, 315, 128165.

  27. Y Chen, X Yu, L Chen, S Liu, X Xu, S Zhao, S Huang, X Tian*. Dynamic poly(dimethylsiloxane) brush coating shows even better antiscaling capability than the low-surface-energy fluorocarbon counterpart. Environ. Sci. Technol. 2021, 55, 8839.

  28. X Luo, J Zhang, J Tao, X Wang, S Zhao, Z Chen*,S Liu, S Li*. Solar-powered “pump” for uranium recovery from seawater. Chem. Eng. J. 2021, 416, 129486.

  29. Y Tang, Y Wang, Q Yan, K Zeng, W Tang, S Zhao,C Kong, Y Xie*. Optimization of porphyrin dyes with a bulky triphenylamine donor for developing efficient dye-sensitized solar cells. Dyes Pigm. 2021, 187, 109075.

  30. H Yu, J Zhao, C Wu, B Yan, S Zhao, H Yin*, S Zhou*. Highly efficient Ir–CoOx hybrid nanostructures for the selective hydrogenation of furfural to furfuryl alcohol. Langmuir 2021, 37, 1894.

  31. W Tang*, P Xie, X Xu, S Zhao*. Development and applications of reaction density functional theory. CIESC Journal 2021, 72, 633.

  32. L Qing, S Zhao, Z Wang*. Surface Charge Density in Electrical Double Layer Capacitors with Nanoscale Cathode–Anode Separation. J. Phys. Chem. B 2021, 125, 625.

  33. R He, C Qiao, L Wang*, S Zhao*. Lattice Boltzmann simulation of mass transfer process affected by a moving particle.The Chinese Journal of Process Engineering 2021, 21, 125.

  34. Q Gao, Y Zhang, A Laaksonen, Y Zhu*, X Ji, S Zhao, Y Chen, X Lu. Effect of dimethyl carbonate on the behavior of water confined in carbon nanotube. Chin. J. Chem. Eng. 2021, 31, 177.

  35. X Liu, X Qian, W Tang, H Luo, R Tan, M Qiao, X Gao, Y Hua, H Wang, S Zhao, C Lai, M Titirici, N Brandon, S Yang*, B Wu. Designer uniform Li plating/stripping through lithium–cobalt alloying hierarchical scaffolds for scalable high-performance lithium-metal anodes. J. Energy Chem. 2021, 52, 385.