Personal Information

Yang-Xin Yu, Professor of Department of Chemical Engineering, Tsinghua University.

 

Research Interest

On the basis of the calculation of various interaction forces between molecules in system, by applying recent achievements from advanced statistical mechanics (integral equation theory, perturbation theory and density functional theory), molecular simulations and also conventional solution theories to develop new molecular thermodynamic models for complicated systems in chemical, bio-chemical and petroleum engineering (mixed solvent adsorption and multi-phase disperse system including electrolytes, micelles, and colloids); to investigate the fluid phase equilibria (vapor-liquid, liquid-liquid and solid-liquid equilibria) with industrial applications by both experiments and models; develops molecular models for the transport properties of polymer-colloidal solutions; develops advanced techniques from thermodynamic point of view for the comprehensive utilization of the energy and substances in the industrial waste gases.

 

Education

Doctorial Degree (Ph. D.): Tsinghua University, Department of Chemical Engineering, Beijing, P.R. China (January, 2005)

Graduate (M.S.): Tsinghua University, Department of Chemical Engineering, Beijing, P. R. China (April, 1991)

Undergraduate (B.E.): Tsinghua University, Department of Chemical Engineering, Beijing, P. R. China (July, 1988)


Work Experience

2005.12-present, Professor, Department of Chemical Engineering, Tsinghua University, Beijing, P. R. China

2002.10-2005.11, Associate professor, Department of Chemical Engineering, Tsinghua University, Beijing, P. R. China

2001.4-2002.9, Visiting associate researcher, Department of Chemical/Environmental Engineering, University of California, Riverside, California, USA

1998.7-2001.3, Associate professor, Department of Chemical Engineering, Tsinghua University, Beijing, P. R. China

1993.12-1998.6, Lecturer, Department of Chemical Engineering, Tsinghua University, Beijing, P. R. China

1991.4-1993.12, Assistant Professor, Department of Chemical Engineering, Tsinghua University, Beijing, P. R. China

 

Research Experience

  1. Developing molecular thermodynamic and diffusion models for globular protein-electrolyte solutions and colloidal dispersion systems. (since 2005)
  2. Developing primitive and non-primitive electrolyte activity coefficient models, EOS and surface tension for electrolyte solutions based on perturbation theory and mean spherical approximation (MSA) theory (since 1990)
  3. Using SAFT (statistical associating fluid theory) for real fluids (including chainlike, associating fluids) (since 1992)
  4. Measuring and modeling vapor-liquid (VLE), liquid-liquid (LLE) and solid-liquid equilibria (SLE): VLE for the systems containing TeEG (tetraethylene glycol) or sulfolane; LLE for the system water + 2-butanol + C4 hydrocarbons at high pressures; LLE for the system with mixed solvents such as TeEG and sulfolane; high pressure phase diagram for the natural gases containing CO2, H2S and water; solubility of sodium dimethyl isophthalate-5-sulfonate in water and in water-methanol mixtures containing sodium sulfate (since 1992)
  5. Developing advanced techniques for the comprehensive utilization of the energy and oils in the waste gases from the setting machines used in the printing and textile industry (since 2003)
  6. Developing density functional theory for nonuniform associating fluids, electrolyte solutions and polymers (since 2001)


Awards

  1.  “Study on electrolyte solution theory” was awarded as the first progressive award of science and technology sponsored by China’s National Educational Committee in 1994
  2. “Study on perturbation theory for fluids” was awarded as the second progressive award of science and technology sponsored by China’s National Educational Committee in 1998
  3. “Study on diffusion and thermodynamic properties of the system involved in chemical engineering” was awarded as the second progressive award of science and technology sponsored by the Chinese Petroleum and Chemical Engineering Society in 2006



Peer-reviewed Periodical articles 

  1. Shuyu L, Zhi-Hai W, Yuxin Y, Renjie C, Lan X, Yang-Xin Y, et al. SDBS/SDSN-assisted Alkaline Dissolution-Conversion of Ε-Zn(oh)2 Strategy for Efficient Synthesis of 1D ZnO with Enhanced Mechanical Property[J], Applied Surface Science, 2025
  2. Hongyan X, Xinyu Y, Wenhao G, Huaipeng P, Xuning L, Xiaolei H, Fanlu M, et al. F-doping Induced Low-Barrier Interface in RuNi-F-NiMoO4 Heterostructure for Efficient Urea-Assisted Hydrogen Evolution Via Seawater Splitting[J], JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2025, 683: 860-869.
  3. Fan Y, Huihui Z, Zhi-Hai W, Lan X, Yang-Xin Y, et al. Formation of Monodispersed Anatase Tio2 Spheres from Tioso4 for Enhanced Hydrogen Evolution of Tio2/G-C3n4 Photocatalysts[J], JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2024, 12(6)
  4. Xinyu Y, Yifeng L, Qianqiao C, Wanchin Y, Qin Z, et al. Fe-Doped Ni3S2 Induces Self-Reconstruction for Urea-Assisted Water Electrolysis Enhancement.[J], LANGMUIR, 2024, 40(46): 24605-24612.
  5. Xinyu Y, Bing H, Mingjing S, Muhammad A, Xinxin L, Lei W, Jingwen P, et al. Modulation of Calcination Conditions on the Defluorination Performance of Nano Ce-based Adsorbents: the Key Roles of Ce Valence State and Oxygen Vacancy[J], CHEMICAL ENGINEERING JOURNAL, 2024, 501
  6. Mudan W, Zhonghua H, Qunxia L, Yuting L, Xinyang Y, et al. A Polyamide Nanofiltration Membrane Loaded with Dextran Nanoparticles with Improved Permeability and Pollution Resistance[J], crossref, 2024
  7. Chen Z, Zhi-Hai W, Ci-Qing Y, Xiao-Ze G, Yang-Xin Y, Ying Y, et al. Rational Regulation of Optimal Oxygen Vacancy Concentrations on VO2 for Superior Aqueous Zinc-Ion Battery Cathodes[J], ACS Applied Materials & Interfaces, 2024, 16(31): 40903-40913.
  8. Rongwei Shi, Yang-Xin Yu, Andrey N. Chibisov. Electrochemical Reduction of Cyanide on Conjugated Copper-Organic Framework Cu3(HHTP)2 Monolayer: A Dispersion-Corrected DFT Investigation[J], International journal of hydrogen energy, 2024
  9. Shuyu L, Zhi-Hai W, Fan Y, Jin F, Yang-Xin Y, Jing W, Lan X, et al. Synthesis and Mechanism of 1D ZnO Based on Alkaline Dissolution‐Conversion Strategy of High Stable and Soluble Ɛ‐zn(oh)2[J], Small, 2024
  10. Zhi-Hai Wu, Yang-Xin Yu. Regulating the Electrochemical Performance of A2Ni2TeO6 (A = Na, K) As a Cathode of Alkali Metal Ion Battery by 3d Transition Metal Substitution from a Theoretical Perspective[J], ACS APPLIED ENERGY MATERIALS, 2024, 7(19): 8715-8725.
  11. Yang-Xin Yu. Sodium/Potassium Intercalation on the Cu4S4 Nanosheet Accompanied by a Surface Phase Transition and Their Competition with Protons[J], ACS APPLIED ENERGY MATERIALS, 2023, 6(19): 10048-10060.
  12. Andrey N C, Mary A C, Anastasiia V P, Kirill V O, Aleksandr S F, Yang-Xin Y, et al. Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from Ab Initio Calculations[J], Nanomaterials, 2023, 13(23): 3070-3070.
  13. Jie Wu, Yang-Xin Yu. Efficient Electrocatalysts Refined from Metal-Dimer-anchored PC6 Monolayers for NO Reduction to Ammonia[J], INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2023, 48(15): 5961-5975.
  14. Yang-Xin Yu. Theoretical Insights into Surface-Phase Transition and Ion Competition During Alkali Ion Intercalation on the Cu4Se4 Nanosheet.[J], PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 26(1): 323-335.
  15. Zhi-Hai Wu, Yang-Xin Yu, Andrey N. Chibisov. Density Functional Theory Investigation on Fast Storage of Sodium and Potassium in Ni2TeO6 As a Novel Promising Cathode Material[J], MATERIALS TODAY ENERGY, 2023, 37