Research Group on 

Structured Thermodynamics and Micro/Nano Chemical Engineering

Publications
pre-2016


1.        X.Y. Song, S.L. Zhao, S.W. Fang, Y.Z. Ma and M. Duan*. “Mesoscopic Simulations of Adsorption and Association of PEO-PPOPEO Triblock Copolymers on a Hydrophobic Surface: From Mushroom Hemisphere to Rectangle Brush”. Langmuir, 32, 11375-11385 (2016) 


2.      C. Lian, S.L. Zhao, H.L. Liu*, and J.Z. Wu*. “Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids”. Journal of Chemical Physics. 145, 204707 (2016)


3.      S.L. Zhao, B.C. Zhan, Y.F. Hu, Z.Y. Fan, M. Pera-Titus*, and H.L. Liu*. “Dynamics of Pickering emulsions in the presence of an interfacial reaction: a simulation study”. Langmuir, 32, 12975-12985 (2016)


4.       Y.F Hu, L.L. Huang, S.L. Zhao, H.L. Liu and K.E. Gubbins*. Effect of Confinement in Nano-Porous Materials on the Solubility of a Supercritical Gas, Molecular Physics. 114(22), 3294-3306 (2016)


5.    Y. Liu, F.G. Guo, J. Hu, S.L. Zhao, H.L. Liu* and Y. Hu. “Entropy Prediction for H2 Adsorption in Metal-Organic Frameworks”. Physical Chemistry Chemical Physics. 18, 23998 (2016)


6.       X.Y. Song, P. Shi, S.L. Zhao, M. Duan*, C.J. Wang, and Y.Z. Ma. “Dissipative Particle Dynamics Study on the Aggregation Behavior of Asphaltenes under Shear Fields”. Industrial & Engineering Chemistry Research, 55, 9077-9086 (2016)      (JCR 一区)


7.     W. Chen, S.L. Zhao, M. Holovko, X.S. Chen, and W. Dong*. “Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media”. J. Phys. Chem. B, 120, 5491−5504 (2016)


8.      J.L. Tang, C. Cai, X.X. Ming, X.H. Yu*S.L. Zhao*, S.T. Tu and H.L. Liu, Morphology and stress at silicon-glass interface in anodic bonding. Applied Surface Science, 387, 139-148 (2016)


9.      M.M. Ma, S.L. Zhao* and Z.L. Xu*, “Investigation of dielectric decrement and correlation effects on electric double-layer capacitance by self-consistent field model”, Communications in Computational Physics. 20(2), 441-458 (2016)


10.    刘宇,赵双良,胡军,刘洪来*.“气体在金属-有机骨架材料中的吸附分离:经典密度泛函理论的应用”。化工学报,67(1), 89-96 (2016)


11.     张杰史学伟赵双良*宋兴福*于建国. “水盐体系相平衡研究进展”. 化工学报.  67(2): 379-389 (2016)


12.     赵会玲付林伟,  赵会艳,  史学伟赵双良*.  刘洪来氨基树脂微球的表面改性及对水中Co2+的吸附性能研究离子交换与吸附, 32(2): 097 ~ 107 (2016)


13.    Y.C. He; Y.Z. Shang; Y. Liu; S.L. Zhao*; H.L. Liu. “Melting Dynamics of Short dsDNA Chains in Saline Solutions”, SpringerPlus. 4:777 (2015) 


14.     S.L. Zhao, Y. Liu, X.Q. Chen, Y.X. Lu, H.L. Liu* and Y. Hu, “Unified Framework of Multi-scale Density Functional Theories and Its Recent Applications”. ACHEM: Mesoscale Modeling in Chemical Engineering II. Chapter 1 Volume 47,  2015, Pages 1–83, Elsevier Publisher


15.   Y.S. Xu, K.H. Shi, S.L. Zhao* X.H. Guo and J. Zhang*, “Block Length Determines the Adsorption Dynamics Mode of Triblock Copolymers to a Hydrophobic Surface”. Chemical Engineering Science. 142:180-189 (2016)


16.    Y. Liu, F.Y. Guo, J. Hu, S.L. Zhao, H.L. Liu* and Y. Hu, “Screening of Desulfurization Adsorbent in Metal-organic Frameworks: A Classical Density Functional Approach”. Chemical Engineering Science, 137, 170-177 (2015)


17.   Y. Liu, S.L. Zhao, H.L. Liu* and Ying Hu, “High-throughput and Comprehensive Prediction of H2 Adsorption in Metal-Organic Frameworks under Various Conditions”. AIChE Journal, 61(9), 2951-2957 (2015)


18.     L.W. Fu, X.W. Shi, H.L. Zhao, S.L. Zhao*, Z.S. Bai and H.L. Liu, “Two Chelating Polymeric Beads and Their Adsorption Properties Toward Trace Co (II) from Wastewater”. Journal of Multidisciplinary Engineering Science and Technology, 2(8), 2522 (2015)


19.    B.C. Zhan, K. H. Shi, Z.X. Dong, W.J. Lv, S.L. Zhao*, X. Han* and H.L. Liu, “Coarse-Grained Simulation of Polycation/DNA-like Complexes: Role of Neutral Block”. Molecular Pharmaceutics. 12(8), 2834 (2015) 


20.   Y.F. Hu, W.J. Lv, S.L. Zhao*, Y.Z. Shang, H.L. Liu* and H.L. Wang*, “Effect of Surfactant SDS on DMSO Transport across Water/Hexane Interface by Molecular Dynamics Simulation”, Chemical Engineering Science, 134, 813-822 (2015)


21.    Y. Xu, J.G. Wang, S.L. Zhao, Z.S Bai. “PIV experimental study on the flow field in the rotor zone of an annular centrifugal contactor”. Chemical Engineering Research and Design. 94, 691-701 (2015)


22.    Z.H. Liu, W.J. Lv, S.L. Zhao*, Y.Z. Shang, C.J. Peng, H.L. Wang, and H.L. Liu. “Effects of Hydrophilicity or Hydrophobicity of Neutral Block on Structure Formation of Block Polyelectrolyte/Surfactants Complex: A Molecular Dynamics Simulation Study”, Computational Condensed Matter. 2, 16-24 (2015)


23.     K.H. Shi, C. Lian, Z.S. Bai, S.L. Zhao*, H.L. Liu, “ Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants”. Chemical Engineering Science122 185-196 (2015)


24.    C.Z. Qiao, W.J. Liu, L.W. Fu, Z. Bai, S.L. Zhao*HL Liu. Theoretical study on adsorption of nanoparticles in dilute concentration under shear flow. CIESC Journal (化工学报), 66(1): 132-141 (2015)


25.    C. Lian, D.Y. Zhi, X. Han*S.L. Zhao, S.H. Xu and Honglai Liu, “A lattice molecular thermodynamic model for thermo-sensitive random copolymer hydrogels”. Colloid Polymer Science, 293(2): 433-439 (2015)


26.    C. Lian, X.Q. Chen*S.L. Zhao, W.J. Lv, X. Han, H.L. Wang*, H.L. Liu. “Substrate Effect on the Phase Behavior of Polymer Brushes with Lattice Density Functional Theory”. Macromolecular Theory and Simulations, 23, 575–582 (2014)


27.    C. Lian, L. Wang, X.Q. Chen, X. Han, S.L. Zhao, H.L. Liu* and Y. Hu. “Modeling Swelling Behavior of Thermo-responsive Polymer Brush with Lattice Density Functional Theory”, Langmuir, 30, 4040-4048 (2014)


28.    X.H. Yang, T. Wu, B.X. Liu, Y.P. Du, H.Y. Li, S.L. Zhao, Y.X. Lu, “Matrix selection for polymer guanidine analysis by MALDITOF MS”. Int. J. Mass Spec. 356, 1-6 (2013)


29.    S.L. Zhao*, Y. Liu, H.L. Liu, and J.Z. Wu*. “Site-site direct correlation functions for three popular molecular models of liquid water”. Journal of Chemical Physics. 139, 064509 (2013)


30.   S.L. Zhao*, H.L. Liu, R. Ramirez and D. Borgis*

, “Accurate evaluation of angular dependent direct correlation function of water”. Journal of Chemical Physics. 139,034503 (2013)


31.   Y. Liu, S.L. Zhao* and J.Z. Wu*, “A site density functional theory for water: Application to solvation of amino-acid side chains”. Journal of Chemical Theory and Computation9, 1896 (2013)


32.     孙迪,赵双良,尚亚卓*,彭昌军,刘洪来. NaClPEG溶液中DNA的变性行为[J].华东理工大学学报,2013,(2):147-150


33.   J.M. Wu, S.L. Zhao, L.Z. Gao, J.Z. Wu* and D. Gao*, Sorting short Fragments of Single-stranded DNA with an evolving electric double layer. Journal of Physical Chemistry B, 117, 2267 (2013)


34.     S.L. Zhao, P.Y. Feng, and J.Z. Wu*, A liquid-state theory for electron correlations and thermodynamics. Chemical Physics Letters, 556, 336-340 (2012)


35.     S.L. Zhao, and J.Z. Wu*, “An efficient method for accurate evaluation of the site-site direct correlation functions of molecular fluids”. Molecular Physics109, 2553 (2011)


36.   J.M. Wu, S.L. Zhao, J.Z. Wu and D. Gao*, Separation of ssDNA with a 10-nucleotide resolution under a stretching force in microfluidic channels.  Lab on a chip11, 4036 (2011)


37.    S.L. Zhao, R. Ramirez, R. Vuilleumier and D. Borgis*, Molecular density functional theory of solvation: From polar solvents to water, Journal of Chemical Physics, 134,194102 (2011)


38.    S.L. Zhao, Z.H. Jin and J.Z. Wu*, New theoretical method for rapid prediction of solvation free energy in water, Journal of Physical Chemistry B, 115, 6971 (2011)


39.    S.L. Zhao and J. Wu, D. Gao and J.Z. Wu*, Gaussian fluctuation in tethered DNA chains, Journal of Chemical Physics, 134, 065103, (2011)


40.  S.L. Zhao and J.Z. Wu*, Self-consistent equations governing the dynamics of non-equilibrium colloidal systemJournal of Chemical Physics, 134, 054514 (2011)


41.    Z.H. Jin, S.L. Zhao and J.Z. Wu*, Entropic forces of single-chain confinement in spherical cavities, Physics Review E, 82, 041805, (2010).


42.    W. Dong*, V. Krakoviack and S.L. Zhao, “Fluid confined in porous media: A soft sponge model”, Journal of Physical Chemistry C, 111, 15910, (2007).


43.   S.L. Zhao, W. Dong* and Q. H. Liu, “Fluids in porous media: 2. A new model of templated matrices”, Journal of Chemical Physics127, 144701 (2007).


44.    S.L. Zhao, W. Dong* and Q. H. Liu, “A new model of templated porous materials”, Journal of Molecular Liquids136, 241 (2007).


45.    S.L. Zhao, W. Dong* and Q. H. Liu, “Fluids in porous media. 1. A hard Sponge model”, Journal of Chemical Physics, 125, 244703 (2006)


46.   S.L. Zhao, Q.H. Liu and Z.C. Ou-Yang, “Apex Shift of Circular Biconcave Vesicle”, International Journal of Modern Physics B, 17, 4661(2003)