Publications

2024

1. Y. Nan, P. Baral, A. Orr, H. Michel, J. Lemkul, and A. MacKerell, Balancing Group 1 Monoatomic Ion-Polar Compound Interactions in the Polarizable Drude Force Field: Application in Protein and Nucleic Acid Systems, The Journal of Physical Chemistry B, 2024, 128(49): 12078-12091
2. Y. Nan, A. MacKerell, Balancing Group I Monoatomic Ion-Polar Compound Interactions for Condensed Phase Simulation in the Polarizable Drude Force Field, Journal of Chemical Theory and Computation, 2024, 20, 8, 3242--3257
3. W. Li, Y. Nan, Z. Jin, Dependence of Methane Transport on Pore Informatics in the Amorphous Nanoporous Kerogen Matrix, Langmuir, 2024, 40, 1, 687–695

2023

4. L. Duan, M. Zhang, Y. Nan, Z. Jin, Effects of Interfacial Molecular Structures on Pressure-Driven Brine Flow in Silica Mesopores, Langmuir, 2023, 39, 37, 13019–13027
5. M. Zhang, Y. Nan, Y. Lu, Q. You, Z. Jin, CO2-responsive surfactant for oil-in-water emulsification and demulsification from molecular perspectives, Fuel, 2023, 331 (2): 125773

2022

6. Y. Fujisawa, Y. Nan, A. Asano, Y. Yanagisawa, K. Yano, Y. Itoh, T. Aida, Blending to Make Nonhealable Polymers Healable: Nanophase Separation Observed by CP/MAS 13C NMR Analysis, Angew. Chem. Int. Ed., 2022, e202214444
7. Y. Nan, W. Li, Z. Jin, Molecular Dynamics Studied on Effective Surface-Active Additives: Toward Hard Water-Resistant Chemical Flooding for Enhanced Oil Recovery, Langmuir, 2022, 38 (16): 4802-4811
8. Y. Nan, Z. Jin, Effect of Alcohol Tail Length on Aggregate Behavior of Alcohol and AOT at the Water-scCO2 Interface: MD Simulation Study, Book, Nanostructured Materials for Sustainable Energy: Design, Evaluation, and Applications, Chapter 10, pp 263-288, 2022

2021

9. Y. Nan, W. Li, M. Zhang, Z. Jin, Ethanol Blending to Improve Reverse-Micelle Dispersity in Supercritical CO2: A Molecular Dynamics Study, J. Phys. Chem. B, 2021, 125 (33): 9610-9620
10. Y. Nan, W. Li, Z. Jin, Ion Valency and Concentration Effect on the Structural and Thermodynamic Properties of Brine-Oil Interfaces with Anionic Surfactant (SDS), J. Phys. Chem. B, 2021, 125 (33): 9621-9628
11. X. Zhang*, Q. Jin*, Y. Nan*, L. Hou, B. Li, X. Chen, Z. Jin, X. Zhang, J. Huang, and Q. Zhang, Electrolyte Structure of Lithium Polysulfides with Anti‐Reductive Solvent Shells for Practical Lithium-Sulfur Batteries, Angew. Chem. Int. Ed., 2021, 60: 15503-15509 *Co-first Author
12. W. Li, Y. Nan, Q. You, Z. Jin, CO2 solubility in brine in silica nanopores in relation to geological CO2 sequestration in tight formations: Effect of salinity and pH, Chem. Eng. J., 2021, 411: 127626
13. W. Li, M. Zhang, Y. Nan, W. Pang, Z. Jin, Molecular Dynamics Study on CO2 Storage in Water-Filled Kerogen Nanopores in Shale Reservoirs: Effects of Kerogen Maturity and Pore Size, Langmuir., 2021, 37(1): 542–552

2020

14. W. Li, Y. Nan, Z. Zhang, Q. You, Z. Jin, Hydrophilicity/Hydrophobicity Driven CO2 Solubility in Kaolinite Nanopores in Relation to Carbon Sequestration, Chem. Eng. J., 2020, 398: 125449
15. Y. Nan, W. Li, Z. Jin, Roles of alcohol as a cosurfactant at brine-oil interface under a typical reservoir condition, Langmuir, 2020, 36(19): 5198-5207
16. W. Li, Y. Nan, Q. You, Q. Xie, Z. Jin, Effects of salts and silica nanoparticles on oil-brine interfacial properties under hydrocarbon reservoir conditions: A molecular dynamics simulation study, J. Mol. Liq., 2020, 305: 112860
17. X. Hu, Y. Nan, X. Kong, D. Lu, and J. Wu, A hybrid theoretical method for predicting electrokinetic energy conversion in nanochannels, Phys. Chem. Chem. Phys., 2020, 22(16): 9110-9116
18. Y. Nan, W. Li, Z. Jin, Slip length of methane flow under shale reservoir conditions: Effect of pore size and pressure, Fuel, 2020, 259: 116237

2019

19. W. Li, Y. Nan, X. Wen, W. Wang, Z. Jin, Effects of Salinity and N-, S-, and O-Bearing Polar Components on Light Oil–Brine Interfacial Properties from Molecular Perspectives, J. Phys. Chem. C, 2019, 123, 38, 23520-23528

2018

20. Y. Yanagisawa, Y. Nan, K. Okuro, T. Aida, Mechanically robust, readily repairable polymers via tailored noncovalent cross-linking. Science, 2018, 359(6371): 72 – 76.

2017

21. Y. Nan, X. Kong, J. Li, D. Lu, Non-equilibrium Molecular Dynamics Simulation of Water Flow Inside Nano-slit. Journal of Chemical Industry and Engineering, 2017, 68(5): 1786 – 1793.