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W. Wang

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EDUCATION

1957-1962 Undergraduate Student

Dept. of Chemical Engineering, Tianjin University, China

1962-1967 Graduate student, Dept. of Chem. Eng., Tianjin University, China

( Note: No Degrees were granted before 1980 in China)

 

WORK EXPERIENCE

1967-1981 Research engineer majoring in separation processes & thermodynamics, Research Institute of Chemical Machinery, Lanzhou, China

1981.4-1983.6 Visiting scholar & postdoctoral research associate, Dept. of Chem. Eng. Purdue University, Indiana, USA

1986-1988 Associate Professor, Beijing Institute of Chemical Technology, China

1989- Professor, Beijing University of Chemical Technology (Formerly: Beijing Institute of Chemical Technology), China

1990.7-1991.7 Visiting and Guest Professor Dept. of Chem. Eng., Technical University of Denmark,Lyngby, Denmark

1997.6-8 Short Term Scientist invited by Japan Science Promotion Society (JSPS), Hosted by Hiroshima University, Japan

2007.7-2008.7 ATOSIM Project (EU) scholar, hosted by the University of Amsterdam, The Netherlands.

 

MEMBERSHIP AND OTHER PROFESSIONS

1.Fellow of the Royal Society of Chemistry (UK, 2005-)

2.Fellow of International Union of Pure and Applied Chemistry (IUPAC) (2002-)

3.TChinese National Representative to the Solubility Data Commission of IUPAC (1994-2005)

4.Member of the Task Group on Data Standards of IUPAC (1997-2002 )

5.International Monitor of the Journal of Japanese Journal of Chemical Engineering (1999-2001)

6.Associate Chief Editor of the Chinese Journal of Chemical Engineering ( in English) (1999-)

7.Member of International Editorial Advisory Board of “Physical Chemistry Chemical Physics(PCCP)”(RSC) ( an International Journal of European Chemical Societies) (2002-)

8.Member of Editorial Board of “Fluid Phase Equilibria” (Elsevier) (2003-)

9.Regional Editor of “Molecular Simulation” (Taylor & Francis)2009-

 

RESEARCH INTERESTS

Complex systems and functional materials in chemical engineering:

Nano porous materials in hydrogen storage and CCS: multiscale simulations and experimental preparations and characterizations

Ionic liquids: Force field developments and applications to CO2 capture and dissolution of cellulose

Hydrates: Molecular simulations of methane and CO2 hydrates:

Bio-systems: Nanoparticle-Cell membrane interactions

Bimetallic clusters in catalases: morphology, properties and catalytic performances

 

COMMUNITY ACTIVITIES

Chairman of the Organizing Committee of the 2nd Beijing International Symposium on Thermodynamics in Chem. Eng. & Ind., Beijing, May 24-27, 1994

Cochairmen of the Programming Committee of the 2nd China/US joint Chemical Engineering Conference, Beijing, May 19-22, 1997

Member of the International Organizing Committee of the 8th Intern. Conference on Properties and Phase Equilibria for Product and Process Design, The Netherlands, April, 1998.

Member of the International Organizing Committee of the 9th Intern. Conference on Properties and Phase Equilibria for Product and Process Design, Kurashiki, Japan, May, 2001

  

PUBLICATIONS
About 210 refereed scientific articles published in journals.

 

2016 (1)

[210]1. Z. Zheng, J. Shen, J. Liu, Y. Wu, L. Zhang, W. Wang, Rsc Advances 6 (2016) 28666-28678.

2015 (3)

[209]1. D. Bai, G. Chen, X. Zhang, A.K. Sum, W. Wang, Scientific Reports 5 (2015) 12747.

[208]2. H. Wang, X. Zeng, W. Wang, D. Cao, Chemical Engineering Science 135 (2015) 373-380.

[207]3. Z. Xiang, R. Mercado, J.M. Huck, H. Wang, Z. Guo, W. Wang, D. Cao, M. Haranczyk, B. Smit, Journal of the American Chemical Society 137 (2015) 13301-13307.

2014 (2)

[206]1. H. Liu, B. Liu, L.-C. Lin, G. Chen, Y. Wu, J. Wang, X. Gao, Y. Lv, Y. Pan, X. Zhang, X. Zhang, L. Yang, C. Sun, B. Smit, W. Wang, Nature Communications 5 (2014) 5147.

[205]2. Y. Liu, J. Wang, X. Zhang, W. Wang, Journal of Chemical Physics 140 (2014) 054705.

2013 (5)

[204]1. D. Bai, B. Liu, G. Chen, X. Zhang, W. Wang, AICHE Journal 59 (2013) 2621-2629.

[203]2. X. Chen, F. Tian, X. Zhang, W. Wang, Soft Matter 9 (2013) 7592-7600.

[202]3. D. Cheng, D. Cao, W. Wang, Abstracts of Papers of the American Chemical Society 245 (2013).

[201]4. F. Huo, Z. Liu, W. Wang, Journal of Physical Chemistry B 117 (2013) 11780-11792.

[200]5. L.-L. Zhang, J.-X. Wang, Z.-P. Liu, Y. Lu, G.-W. Chu, W.-C. Wang, J.-F. Chen, AICHE Journal 59 (2013) 2957-2965.

2012 (6)

[199]1. ZH Xiang, DP Cao, WC Wang, WT Yang, BY Han, JM Lu, Journal of Physical Chemistry C 116 (2012) 5974-5980 .

[198]2. W. Xu, D. Cheng, M. Niu, X. Shao, W. Wang, Electrochimica Acta, 76 (2012) 440-445.

[197]3. L. Huang, Z. Xiang, D. Cheng, J. Lan, W. Wang, T. Ben, D. Cao, Nanotechnology, 23 (2012).

[196]4. D. Cheng, W. Wang, Nanoscale, 4 (2012) 2408-2415.

[195]5. D. Bai, X. Zhang, G. Chen, W. Wang, Energy & Environmental Science, 5 (2012) 7033-7041.

[194]6. D. Bai, G. Chen, X. Zhang, W. Wang, Langmuir, 28 (2012) 7730-7736.

2011 (8)

[193]1. D.J. Cheng, J.H. Lan, D.P. Cao, W.C. Wang, Applied Catalysis B-Environmental, 106 (2011) 510-519.

[192]2. Y.X. Hu, X.R. Zhang, W.C. Wang, Industrial & Engineering Chemistry Research, 50 (2011) 13932-13939.

[191]3. K.J. Li, W.C. Wang, D.P. Cao, Journal of Physical Chemistry C, 115 (2011) 12015-12022.

[190]4. K.J. Li, W.C. Wang, D.P. Cao, Sensors and Actuators B-Chemical, 159 (2011) 171-177.

[189]5. J. Liu, S.Z. Wu, L.Q. Zhang, W.C. Wang, D.P. Cao, Physical Chemistry Chemical Physics, 13 (2011) 518-529.

[188]6. Y.M. Men, X.R. Zhang, W.C. Wang, Journal of Chemical Physics, 134 (2011).

[187]7. X.A. Peng, D.P. Can, W.C. Wang, Chemical Engineering Science, 66 (2011) 2266-2276.

[186]8. Z.H. Xiang, Z. Hu, D.P. Cao, W.T. Yang, J.M. Lu, B.Y. Han, W.C. Wang, Angewandte Chemie-International Edition, 50 (2011) 491-494.

2010 (13)

[185]1 J.J. Gao, S.Y. Li, X.R. Zhang, W.C. Wang, Physical Chemistry Chemical Physics, 12 (2010) 3219-3228.

[184]2. Y.X. Hu, X.R. Zhang, W.C. Wang, Langmuir, 26 (2010) 10693-10702.

[183]3. J.H. Lan, D.P. Cao, W.C. Wang, Langmuir, 26 (2010) 220-226.

[182]4. J.H. Lan, D.P. Cao, W.C. Wang, Journal of Physical Chemistry C, 114 (2010) 3108-3114.

[181]5. J.H. Lan, D.P. Cao, W.C. Wang, T. Ben, G.S. Zhu, Journal of Physical Chemistry Letters, 1 (2010) 978-981.

[180]6. J.H. Lan, D.P. Cao, W.C. Wang, B. Smit, Acs Nano, 4 (2010) 4225-4237.

[179]7. S.Y. Li, X.R. Zhang, W.C. Wang, Biophysical Journal, 98 (2010) 2554-2563.

[178]8. X.A. Peng, D.P. Cao, W.C. Wang, Industrial & Engineering Chemistry Research, 49 (2010) 8787-8796.

[177]9 X.A. Peng, J. Zhou, W.C. Wang, D.P. Cao, Carbon, 48 (2010) 3760-3768.

[176]10. Z.H. Xiang, D.P. Cao, J.H. Lan, W.C. Wang, D.P. Broom, Energy & Environmental Science, 3 (2010) 1469-1487.

[175]11. Z.H. Xiang, D.P. Cao, X.H. Shao, W.C. Wang, J.W. Zhang, W.Z. Wu, Chemical Engineering Science, 65 (2010) 3140-3146.

[174]12. T.T. Yue, S.Y. Li, X.R. Zhang, W.C. Wang, Soft Matter, 6 (2010) 6109-6118.

[173]13. X.A. Zhang, X.H. Shao, W.C. Wang, D.P. Cao, Separation and Purification Technology, 74 (2010) 280-287.

2009 (18)

[172]1. Zhang, X. C.; Huo, F.; Liu, Z. P.; Wang, W. C.; Shi, W.; Maginn, E. J.,, Absorption of CO2 in the Ionic Liquid 1-n-Hexyl-3-methylimidazolium Tris(pentafluoroethyl)trifluorophosphate ([hmim][FEP]): A Molecular View by Computer Simulations, Journal of Physical Chemistry B 2009, 113, 7591-7598 

[171]2. Men Y. M., Zhang X. R., and Wang W. C., Capillary liquid bridges in atomic force microscopy: Formation, rupture, and hysteresis, J. Chem. Phys. 2009, 131, 184702 

[170]3. Lan J. H., Cao D. P., Wang W. C., Li12Si60H60 Fullerene Composite:A Promising Hydrogen Storage Medium, ACS Nano 2009, 3, 3294–3300 

[169]4. Li S. Y., Zhang X. R, and Wang W.C., Coarse-Grained Model for Mechanosensitive Ion Channels, J. Phys. Chem. B 2009, 113, 14431–14438 

[168]5. Peng, X., Cao, D.P., Wang, W.C., Computational characterization of hexagonally ordered carbon nanopipes CMK-5 and structural optimization for H2 storage, Langmuir 2009, 25, 10863 

[167]6. Xiang Z.H., Lan J.H., Cao D.P, Shao X.H.,Wang W.C.,Broom D.P., Hydrogen Storage in Mesoporous Coordination Frameworks: Experiment and Molecular Simulation, J. Phys. Chem. C 2009, 113, 15106–15109 

[166]7. Zheng F. X., Zhang X. R. , and Wang W.C., Comment on Monte Carlo Simulation of Surfactant Adsorption on Hydrophilic Surfaces, Langmuir 2009, 25, 7766-7767 

[165]8. Zheng F.X., Chen G.J., Zhang X.R., and Wang W.C., A Monte Carlo study of crowding effects on the self-assembly of amphiphilic molecules, J. Chem. Phys. 2009, 130, 204701 

[164]9. Men Y.M., Yan Q.Z., Jiang G.F., Zhang X.R., and Wang W.C., Nucleation and hysteresis of vapor-liquid phase transitions in confined spaces: Effects of fluid-wall interaction, Phys. Rev. E 2009, 79, 51602 

[163]10. Shao X.H., Ma C.C., Cao D.P., and Wang W.C., Understanding the effect of corners: Adsorption of fluids in three different shapes of nanopores, Chinese Journal of Chemistry 2009, 27, 505 

[162]11. Cao D.P., Lan J.H., Wang W.C., and Smit B., Li-doped 3D covalent organic frameworks: High capacity hydrogen storage materials, Angewandte Chemie International Edition 2009, 48, 4730

[161]12. Wang W.Y., Yue H.Y., Yuan Q.P., and Wang W.C., Biosynthesis of 15NL-phenylalanine by phenylalanine ammonia-lyase from Rhodotorula glutinis, Amino Acids 2009, 36, 231~233 

[160]13. Xu X.F., Cao D.P., Zhang X.R., and Wang W.C., Universal version of density-functional theory for polymers with complex architecture, Phys. Rev. E 2009, 79, 021805

[159]14. Cao D.P., Zhang X.R., and Wang W.C., Theoretical study on tailoring symmetric and asymmetric thin films of diblock copolymers, Applied Surface Science 2009, 255, 5775~5780 

[158]15. Cheng D.J., Lan J.H., Wang W.C., and Cao D.P., Theoretical study of the structures of MgO(100)-supported Au clusters, Surface Science 2009, 603, 881~886 

[157]16. Cheng D.J., Wang W.C., Cao D.P. and Huang S.P., Simulating Synthesis of Metal Nanorods, Nanoplates, and Nanoframes by Self-Assembly of Nanoparticle Building Blocks, J. Phys. Chem. C 2009, 113, 3986~3997 

[156]17. Li S.Y., Zheng F.X., Zhang X.R., and Wang W.C., Stability and Rupture of Archaebacterial Cell Membrane: A Model Study, J. Phys. Chem. B 2009, 113, 1143~1152 

[155]18. Ben T., Ren H., Ma S.Q., Cao D.P., Lan J.H., Jing X.F., Wang W.C., Xu J., Deng F., Simmons J.M., Qiu S.L., Zhu G.S., Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area, Angewandte Chemie International Edition 2009, 48, 9457~9460

2008 (19)

[154]1. Zhang X.R., Cao D.P., and Wang W.C., Formation of New Morphologies of Surfactant-Inorganic-Water Systems under Spherical Confinements, J. Phys. Chem. C 2008, 112, 2943-2948

[153]2. Ding B.J., Huang S.P., and Wang W.C., Structure and hydrothermal stability of Re(VII)–Oxo species grafted onto H-ZSM-5: A DFT study, Journal of Molecular Structure: THEOCHEM 2008, 851, 207-212

[152]3. Cheng, D.J., Wang, W.C., Huang, S.P., and Cao, D.P., Atomistic Modeling of Multishell Onion-Ring Bimetallic Nanowires and Clusters , J. Phys. Chem. C,  2008, 112(13), 4855-4860

[151]4. Lan J.H., Cheng, D.J., Cao, D.P., Wang, and W.C., Silicon Nanotube as a Promising Candidate for Hydrogen Storage: From the First Principle Calculations to Grand Canonical Monte Carlo Simulations, J. Phys. Chem. C 2008, 112(14), 5598-5604

[150]5. Ni R., Cao D.P., and Wang W.C., Release of Lysozyme from the Branched Polyelectrolyte-Lysozyme Complexation, J. Phys. Chem. B 2008, 112 (14), 4393-4400

[149]6. Zheng, F.X., Zhang, X.R., and Wang, W.C., Macrophase and Microphase Separations for Surfactants Adsorbed on Solid Surfaces: A Gauge Cell Monte Carlo Study in the Lattice Model, Langmuir 2008, 24, 4661-4669

[148]7. Ding B.J., Huang S.P., and Wang W.C., Methane activation over Ag-exchanged ZSM-5 zeolites: A theoretical study, Applied Surface Science 2008, 254, 4944-4948

[147]8. Tu W.X., Cao S.J., Yang L.P., and Wang W.C., Modification effects of magnetic supports and bimetallic structures on palladium nanocluster catalysts, Chemical Engineering Journal 2008, 143, 244

[146]9. Cheng, D.J., Wang, W.C., and Huang, S.P., Melting phenomena: effect of composition for 55-atom Ag-Pd bimetallic clusters, Physical Chemistry Chemical Physics 2008, 10, 2513 - 2518

[145]10. Ni R., Cao D.P., Wang W.C., and Jusufi A., Conformation of a Spherical Polyelectrolyte Brush in the Presence of Oppositely Charged Linear Polyelectrolytes, Macromolecules 2008, 41, 5477

[144]11. Feng Z.K., Zhang X.R. and Wang W.C., Adsorption of fluids in a pore with chemical heterogeneities: The cooperative effect, Physical Review E 2008, 77, 051603

[143]12. Hu Y.Y., Ni R., Cao D.P., and Wang W.C., Effect of bridging conformation of polyelectrolytes on static and dynamic properties of macroions, Langmuir, 2008, 24, 10138

[142]13. Peng X., Cao D.P. and Wang W.C., Heterogeneity characterization of ordered mesoporous carbon adsorbent CMK-1 for methane and hydrogen storage: GCMC simulation and comparison with experiment, Journal of Physical Chemistry C, 2008, 112, 13024

[141]14. Li S., Zhang X., Dong W., and Wang W.C., Computer simulations of solute exchange using micelles by collision-driven fusion process, Langmuir, 2008, 24, 9344

[140]15. Ding B.J., Huang S.P., and Wang W.C., n-Butane monomolecular cracking on acidic zeolites: A density functional theory, Chinese Journal of Chemistry, 2008, 26, 1173

[139]16. Zhang X.C., Liu Z.P., and Wang W.C., Screening of ionic liquids to capture CO2 by COSMO-RS and experiments, AIChE Journal, 2008, 54, 2717.

[138]17. Wu Z.Q., Liu Z.P., Wang W.C., Fan Y.Q and Xu N.P., Diffusion of H2, CO, N2, O2 and CH4 through Nanoporous Carbon Membranes, Chinese Journal of Chemical Engineering, 2008, 16(5), 709.

[137]18. Wu Z.Q., Liu Z.P., Wang W.C., Fan Y.Q., and Xu N.P., Non-equilibrium molecular dynamics simulation on permeation and separation of H2/CO in nanoporous carbon membranes, Separation and Purification Technology, 2008, 64, 71.

[136]19. Yang J., Ni R., Cao D.P., and Wang W.C., Polyelectrolyte-Macroion Complexation in 1:1 and 3:1 Salt Contents: A Brownian Dynamics Study, Journal of Physical Chemistry B, 2008, 112, 16505.

2007 (19)

[135]1. Shao X.H., Wang W.C., and Zhang X.J., Experimental measurements and computer simulation of methane adsorption on activated carbon fibers, Carbon 2007, 45, 188–195

[134]2. Cheng D.J., Wang W.C., and Huang S.P., Thermal Evolution of a Platinum Cluster Encapsulated in Carbon Nanotubes, J. Phys. Chem. C 2007, 111, 1631-1637 

[133]3. Zheng F.X., Zhang X.R., and Wang W.C., Bridge Structure: An Intermediate State for a Morphological Transition in Confined Amphiphile/Water Systems, J. Phys. Chem. C 2007, 111, 7144-7151

[132]4. Cheng D.J., Wang W.C., and Huang S.P., Thermal Evolution of Pd and Pd-Pt Clusters Supported on MgO(100), J. Phys. Chem. C 2007, 111, 8037-8042

[131]5. Pan Y., Cheng D.J., Huang S.P., and Wang W.C., Melting behavior of core-shell structured Ag-Rh bimetallic clusters, Chinese Phys. Lett. 2007, 111, 8037-8042

[130]6. Zhang X.R., Chen B., Dong W., and Wang W.C., Surfactant Adsorption on Solid Surfaces: Recognition between Heterogeneous Surfaces and Adsorbed Surfactant Aggregates, Langmuir, 2007, 23, 7433-7435

[129]7. Ni R., Cao D.P., and Wang W.C., Nanopattern of the Inner Surface of Carbon Nanotubes for Self-Assembly of Nanoparticles: A Multistep Monte Carlo Method, J. Phys. Chem. C 2007, 111, 11811805

[128]8. Cheng D.J., Wang W.C., and Huang S.P., Core-shell structured bimetallic clusters and nanowires, Journal of Physics: Condensed Matter 2007, 19, 356217

[127]9. Zhang X.R., Chen G.J., and Wang W.C., Confinement induced critical micelle concentration shift, J. Chem. Phys. 2007, 127, 034506

[126]10. Zhang X.R., Cao D.P., and Wang W.C., A stepwise approximation for modeling of the wall–fluid potential of a mesoscopic pore, Journal of Colloid and Interface Science 2007, 308, 49–52

[125]11. Wang F., Wang W.C., Huang S.P., Teng J.W., and Xie Z.K., Experiment and Modeling of Pure and Binary Adsorption of n-Butane and Butene-1 on ZSM-5 Zeolites with Different Si/Al Ratios, Chin. J. Chem. Eng., 2007, 15, 376-386

[124]12. Cao D.P. and Wang W.C., Storage of hydrogen in single-walled carbon nanotube bundles with optimized parameters: Effect of external surfaces, International Journal of Hydrogen Energy, 2007, 32, 1939-1942

[123]13. Cao D.P., Cheng L.S. and Wang W.C., Density functional theory for molecular orientation of hard rod fluids in hard slits, Chinese Physics, 2007, 16, 2296-2303

[122]14. Chen X.M., Huang S.P, Cao D.P. and Wang W.C., Optimal feed ratio of benzene–propylene binary mixtures for alkylation in ZSM-5 by molecular simulation, Fluid Phase Equilibria, 2007, 260, 146-152

[121]15. Yue H.Y., Yuan Q.P. and Wang W.C., Enhancement of L-Phenylalanine production by b-cyclodextrin, Journal of Food Engineering, 2007, 79, 878-884

[120]16. Cheng D.J., Liu X., Cao D.P., Wang W.C., and Huang S.P., Surface segregation of Ag–Cu–Au trimetallic clusters, Nanotechnology 2007, 18, 475702

[119]17. Yue H.Y., Yuan Q.P. and Wang W.C., Purification of phenylalanine ammonia-lyase in PEG1000/Na2SO4 aqueous two-phase system by a two-step extraction, Biochemical Engineering Journal, 2007, 37(3), 231-237.

[118]18. Liu Z.P. and Wang W.C., Force field refinement and molecular simulations of imidazolium-based ionic liquids, ACS Symposium Series, 2007, 975(Ionic Liquids IV), 70-85.

[117]19. Cao D.P. and Wang W.C., Interaction between two single-walled carbon nanotubes revisited: Structural stability of nanotube bundles, Chemical Engineering Science, 2007, 62(23), 6879-6884.

2006 (14)

[116]1. Cao D.P., Zhu M.H., and Wang W.C., Microstructure and self-assembly of inhomogeneous rigid rodlike chains between two neutral surfaces: A hybrid density functional approach. Journal of Physical Chemistry B, 2006. 110(43): p. 21882-21889.

[115]2. Cheng D.J., Huang S.P., and Wang W.C., Thermal behavior of core-shell and three-shell layered clusters: Melting of Cu1Au54 and Cu12Au43. Physical Review B, 2006, 74(6), 064117.

[114]3. Cheng D.J., Wang W.C., and Huang S.P., The onion-ring structure for Pd-Pt bimetallic clusters. Journal of Physical Chemistry B, 2006. 110(33): p. 16193-16196.

[113]4. Liu Z.P., Wu X.P., and Wang W.C., A novel united-atom force field for imidazolium-based ionic liquids. Physical Chemistry Chemical Physics, 2006. 8(9): p. 1096-1104.

[112]5. Lu G.W., Wang X.Q., Xu D., Xia H.R., Li C.X., Wang Z.H., and Wang W.C., A spectroscopy investigation of MnHg(SCN)(4)(H2O)(2) (C4H9NO)(2) crystals. Materials Chemistry and Physics, 2006. 100(1): p. 187-192.

[111]6. Peng X. and W.C. Wang, Molecular simulation for the chemical equilibrium of methane steam reforming in slit pores. Chemical Journal of Chinese Universities-Chinese, 2006. 27(8): p. 1530-1534.

[110]7. Peng X., Wang W.C., Xue R.S., and Shen Z.M., Adsorption separation of CH4/CO2 on mesocarbon microbeads: Experiment and modeling. Aiche Journal, 2006. 52(3): p. 994-1003.

[109]8. Wang W.C. and Liu Z.P., Force fields and simulation on imidazolium based ionic liquids. Abstracts of Papers of the American Chemical Society, 2006. 231.

[108]9. Cheng D.J., Huang S.P. and Wang W.C., The structure of 55-atom Cu-Au bimetallic clusters: Monte Carlo study, European Physical Journal D, 2006. 39, p. 41-48.

[107]10. Cheng D.J., Huang S.P. and Wang W.C.Structures of small PdPt bimetallic clusters by Monte Carlo simulation, Chemical Physics, 2006, 330, p. 423430.  

[106]11. Zheng F.X., Zhang X.R., Wang W.C., and Dong W., Adsorption and Morphology Transition of Surfactants on Hydrophobic Surfaces: A Lattice Monte Carlo Study, Langmuir 2006, 22, 11214-11223

[105]12. Ni R., Cao D.P., and Wang W.C., A Monte Carlo Study of Spherical Electrical Double Layer of Macroions-Polyelectrolytes Systems in Salt Free Solutions, J. Phys. Chem. B 2006, 110, 26232-26239

[104]13. Lu G.W., Lan J.H., Li C.X., Wang W.C., and Wang C.L., Theoretical Study of CCl4 Adsorption and Hydrogenation on a Pt (111) Surface, J. Phys. Chem. B 2006, 110, 24541-24548

[103]14. Zhang X.R. and Wang W.C., Square-well fluids in confined space with discretely attractive wall-fluid potentials: Critical point shift, Physical Review E 2006, 74, 062601

2005 (9)

[102]1. Fang Q.H., Huang S.P., and Wang W.C., Intercalation of dimethyl sulphoxide in kaolinite: Molecular dynamics simulation study. Chemical Physics Letters, 2005. 411(1-3): p. 233-237.

[101]2. Hu R., Huang S.P., Liu Z.P., and Wang W.C., Water formation on Pt(111) surfaces at high temperatures studied by kinetic Monte Carlo simulations. Applied Surface Science, 2005. 242(3-4): p. 353-361.

[100]3. Liu Z.P., Wang W.C., and Li Y.G., An equation of state for electrolyte solutions by a combination of low-density expansion of non-primitive mean spherical approximation and statistical associating fluid theory. Fluid Phase Equilibria, 2005. 227(2): p. 147-156.

[99]4. Lu G.W., Li C.X., Wang W.C., and Wang Z.H., A Monte Carlo simulation on structure and thermodynamics of potassium nitrate electrolyte solution. Molecular Physics, 2005. 103(5): p. 599-610.

[98]5. Lu G.W., Li C.X., Wang W.C., Wang Z.H., Guan J.T., and Xia H.R., Lattice vibration modes and thermal conductivity of potassium dihydrogen phosphate crystal studying by Raman spectroscopy. Materials Science and Engineering B-Solid State Materials for Advanced Technology, 2005. 116(1): p. 47-53.

[97]6. Peng X., Wang W.C., and Huang S.P., Monte Carlo simulation for chemical reaction equilibrium of ammonia synthesis in MCM-41 pores and pillared clays. Fluid Phase Equilibria, 2005. 231(2): p. 138-149.

[96]7. Wu X.P., Liu Z.P., and Wang W.C., Molecular dynamics simulation of gas solubility in room temperature ionic liquids. Acta Physico-Chimica Sinica, 2005. 21(10): p. 1138-1142.

[95]8. Wu X.P., Liu Z.P., Huang S.P., and Wang W.C., Molecular dynamics simulation of room-temperature ionic liquid mixture of bmim BF4 and acetonitrile by a refined force field. Physical Chemistry Chemical Physics, 2005. 7(14): p. 2771-2779.

[94]9. Pan Y., Huang S.P., and Wang W.C., Molecular dynamics simulation of shell-symmetric Pd nanoclusters. Molecular Simulation, 2005. 31: p. 1057-1061.

2004 (14)

[93]1. Chen, X.M., Huang S.P., and Wang W.C., Adsorption of benzene-ethylene alkylation system in ZSM-5 under supercritical condition by molecular simulation. Acta Chimica Sinica, 2004. 62(17): p. 1653-1657.

[92]2. Fang Q.H., Huang S.P., Liu Z.P., and Wang W.C., Molecular dynamics simulation of magnesium-montmorillonite hydrates. Acta Chimica Sinica, 2004. 62(24): p. 242414.

[91]3. Huang S.P. and Wang W.C., Structural and dynamic properties of amorphous silicon: Tight-binding molecular dynamics simulation. Chinese Physics Letters, 2004. 21(12): p. 2482-2485.

[90]4. Huang S.P., Yoshida F., and Wang W.C., The structural and dynamical properties of ZnCl2 melt - a molecular dynamics simulation study. Journal of Molecular Liquids, 2004. 115(2-3): p. 81-88.

[89]5. Le Y., Chen J.F., and Wang W.C., Determination of pore size distribution of silica hollow microspheres by experiment and simulation. Acta Physico-Chimica Sinica, 2004. 20(11): p. 131307.

[88]6. Le Y., Chen J.F., and Wang W.C., Study on the silica hollow spheres by experiment and molecular simulation. Applied Surface Science, 2004. 230(1-4): p. 319-326.

[87]7. Le Y., Chen J.F., Wang J.X., Shao L., and Wang W.C., A novel pathway for synthesis of silica hollow spheres with mesostructured walls. Materials Letters, 2004. 58(15): p. 212108.

[86]8. Liu Z.P., Huang S.P., and Wang W.C., A refined force field for molecular simulation of imidazolium-based ionic liquids. Journal of Physical Chemistry B, 2004. 108(34): p. 12978-12989.

[85]9. Liu B., Wang W.C., and Zhang X.R., A hybrid cylindrical model for characterization of MCM-41 by density functional theory. Physical Chemistry Chemical Physics, 2004. 6(15): p. 3985-3990.

[84]10. Lu G.W., Li C.X., Wang W.C., and Wang Z.H., Structure of KNO3 electrolyte solutions: a Monte Carlo study. Fluid Phase Equilibria, 2004. 225(1-2): p. 1-11.

[83]11. Lu G.W., Li C.X., Wang W.C., and Wang Z.H., Electrostatic energy calculation and parameter optimization in computer molecular simulation. Chinese Journal of Chemical Physics, 2004. 17(5): p. 547-553.

[82]12. Lu G.W., Li C.X., Wang W.C., Wang Z.H., Wang Z.M., Yuan D.R., and Xia H.R., Raman scattering spectra of La3Ga5SiO14 (LGS) crystals. Physica Status Solidi B-Basic Research, 2004. 241(2): p. 439-446.

[81]13. Shao X.H., Wang W.C., Xue R.S., and Shen Z.M., Adsorption of methane and hydrogen on mesocarbon microbeads by experiment and molecular simulation. Journal of Physical Chemistry B, 2004. 108(9): p. 2970-2978.

[80]14. Zhang X.R., Wang W.C., and Jiang G.F., A potential model for interaction between the Lennard-Jones cylindrical wall and fluid molecules. Fluid Phase Equilibria, 2004. 218(2): p. 239-246.

2003 (10)

[79]1. Zhang X.R., Shen Z.G., Chen J.F., and Wang W.C., Adsorption of linear ethane molecules in MCM-41 by molecular simulation. Acta Physica Sinica, 2003. 52(1): p. 163-168.

[78]2. Cao D.P., Zhang X.R., Chen J.F., Wang W.C., and Yun J., Optimization of single-walled carbon nanotube arrays for methane storage at room temperature. Journal of Physical Chemistry B, 2003. 107(48): p. 13286-13292.

[77]3. Li C.X., Tian R., Lu G.W., Wang Z.H., and Wang W.C., Monte Carlo simulation on model fluid of electrolyte solution. Acta Chimica Sinica, 2003. 61(2): p. 175-180.

[76]4. Lu G.W., Li C.X., Wang W.C., Wang Z.H., Xia H.R., and Zhao P., Raman investigation of lattice vibration modes and thermal conductivity of Nd-doped zircon-type laser crystals. Materials Science and Engineering B-Solid State Materials for Advanced Technology, 2003. 98(2): p. 156-160.

[75]5. Lu G.W., Li C.X., Wang W.C., Wang Z.H., Xia H.R., Sun, X., and Gao Z.S., Study on the configuration of anion clusters in solid-liquid interface of KDP crystals with density functional theory. Acta Chimica Sinica, 2003. 61(2): p. 181-185.

[74]6. Lu G.W., Li C.X., Wang W.C., Wang Z.H., Xia H.R., Zhang H.J., Meng X.L., and Li L.X., Lattice vibration and absorbance of Er : Yb : YCOB single crystals. Chemical Physics Letters, 2003. 368(3-4): p. 269-275.

[73]7. Shao X.H., Huang S.P., and Wang W.C., Separation of CCl4 from air by Kierlik-Rosinberg's DFT method on activated carbon. Acta Chimica Sinica, 2003. 61(11): p. 1740-1746.

[72]8. Shao X.H., Zhang X.R., and Wang W.C., Comparison of density functional theory and molecular simulation methods for pore size distribution of mesoporous materials. Acta Physico-Chimica Sinica, 2003. 19(6): p. 538-542.

[71]9. Zhang X.R., Cao D.P., and Wang W.C., The effect of discrete attractive fluid-wall interaction potentials on adsorption isotherms of Lennard-Jones fluid in cylindrical pores. Journal of Chemical Physics, 2003. 119(23): p. 12586-12592.

[70]10. Zhang X.R., Wang W.C., Chen J.F., and Shen Z.G., Characterization of a sample of single-walled carbon nanotube array by nitrogen adsorption isotherm and density functional theory. Langmuir, 2003. 19(15): p. 6088-6096.

2002 (12)

[69]1. Cao D.P., Wang W.C., Shen Z.G., and Chen J.F., Determination of pore size distribution and adsorption of methane and CCl4 on activated carbon by molecular simulation. Carbon, 2002. 40(13): p. 2359-2365.

[68]2. Cao D.P., Wang W.C., and Duan X., Grand canonical Monte Carlo simulation for determination of optimum parameters for adsorption of supercritical methane in pillared layered pores. Journal of Colloid and Interface Science, 2002. 254(1): p. 1-7.

[67]3. Cao D.P. and Wang W.C., Computer simulation of adsorption of CCl4 in activated carbon and layered pillared materials at ambient temperature. Physical Chemistry Chemical Physics, 2002. 4(15): p. 3720-3726.

[66]4. Cao D.P. and Wang W.C., Grand canonical ensemble Monte Carlo simulation for determination of pore size of activated carbon. Chemical Journal of Chinese Universities-Chinese, 2002. 23(5): p. 910-914.

[65]5. Cao D.P., Chen J.F., Shen Z.G., Zhang X.R., and Wang W.C., Adsorption of nitrogen in MCM-41: Experiment and molecular simulation. Acta Chimica Sinica, 2002. 60(5): p. 820-824.

[64]6. Hu Y., Liu H.L., and Wang W.C., Molecular thermodynamics concerning complex materials. Fluid Phase Equilibria, 2002. 194: p. 97-106.

[63]7. Zhang X.R. and Wang W.C., Characterization of mesoporous MCM-41 adsorbents by computer simulation and adsorption isotherm. Acta Chimica Sinica, 2002. 60(9): p. 161612.

[62]8. Zhang X.R. and Wang W.C., A density functional study of hydrogen adsorption in single-walled carbon nanotube arrays. Acta Chimica Sinica, 2002. 60(8): p. 1396-1404.

[61]9. Zhang X.R. and Wang W.C., Molecular simulation on adsorption of methane in mesopore MCM-41. Acta Physico-Chimica Sinica, 2002. 18(8): p. 680-685.

[60]10. Zhang X.R. and Wang W.C., Adsorption of linear ethane molecules in single walled carbon nanotube arrays by molecular simulation. Physical Chemistry Chemical Physics, 2002. 4(13): p. 3048-3054.

[59]11. Zhang X.R. and Wang W.C., Methane adsorption in single-walled carbon nanotubes arrays by molecular simulation and density functional theory. Fluid Phase Equilibria, 2002. 194: p. 289-295.

[58]12. Zhou J., Zhu Y., Wang W.C., Lu X.H., Wang Y.R., Shi J., Molecular dynamics study of supercritical aqueous sodium chloride solutions. Acta Physico-Chimica Sinica, 2002. 18(3): p. 2212.

2001 (17)

[57]1. Cao D.P. and Wang W.C., Molecular simulation of adsorption of supercritical methane in pillared zirconium chloride. Acta Chimica Sinica, 2001, 59(11): p. 1898-1903.

[56]2. Cao D.P. and Wang W.C., Coordination number model and Monte Carlo simulation for highly asymmetric square well fluid mixtures. Fluid Phase Equilibria, 2001, 191(1-2): p. 111-126.

[55]3. Cao D.P., Wang W.C., Shen Z.G., and Chen J.F., Determination of optimum pressure for supercritical methane adsorbed in nano-material. Acta Physico-Chimica Sinica, 2001, 17(10): p. 940-943.

[54]4. Cao D.P. and Wang W.C., Grand canonical Monte Carlo simulation of methane adsorbed in layered pillared pores. Physical Chemistry Chemical Physics, 2001. 3(15): p. 3150-3155.

[53]5. Feng W., Wen H., Xu Z.H., and Wang W.C., Perturbed hard-sphere-chain theory modeling of vapor-liquid equilibria of high concentration polymer and copolymer systems. Fluid Phase Equilibria, 2001. 183: p. 99-109.

[52]6. Jin W.Z. and Wang W.C., Computer simulation of adsorption of a Stockmayer molecule chlorodifluoromethane in activated carbon slit pores. Journal of Chemical Physics, 2001. 114(22): p. 10163-10169.

[51]7. Li C.X. and Wang W.C., A surface tension model for liquid mixtures based on NRTL equation. Chinese Journal of Chemical Engineering, 2001. 9(1): p. 45-50.

[50]8. Wang W.C. and Chen G.J., Festschrift in honour of professor Tian-Min Guo - A collection of papers in honour of Professor Tian-Min Guo on the occasion of his 70th birthday - Editorial. Chemical Engineering Science, 2001. 56(24): p. 686804.

[49]9. Zhang X.R. and Wang W.C., A potential model for cylindrical pores. Chinese Journal of Chemical Engineering, 2001. 9(4): p. 348-353.

[48]10. Zhang X.R., Wang W.C., and Qu Y.X., Molecular simulation on adsorption of methane in single wall carbon nanotubes. Acta Chimica Sinica, 2001. 59(4): p. 479-485.

[47]11. Zhong C.L., Yang Q.Y., and Wang W.C., Correlation and prediction of thermal conductivity of amorphous polymers (vol 181, pg 195, 2001). Fluid Phase Equilibria, 2001. 192(1-2): p. 209-209.

[46]12. Zhong C.L., Yang Q.Y., and Wang W.C., A group contribution model for the prediction of the thermal conductivity of polymer melts. Industrial & Engineering Chemistry Research, 2001. 40(19): p. 4151-4153.

[45]13. Zhong C.L., Yang Q.Y., and Wang W.C., Correlation and prediction of the thermal conductivity of amorphous polymers. Fluid Phase Equilibria, 2001. 181(1-2): p. 195-202.

[44]14. Zhou J., Lu X.H., Wang Y.R., Shi J., and Wang W.C., Molecular dynamics study of aqueous sodium chloride solutions of different concentrations. Acta Chimica Sinica, 2001. 59(12): p. 2070-2075.

[43]15. Zhou J. and Wang W.C., Gibbs ensemble Monte Carlo simulation of adsorption equilibrium of methane. Acta Physico-Chimica Sinica, 2001. 17(8): p. 723-727.

[42]16. Zhou J., Wang W.C., and Zhong C.L., Molecular dynamics investigation of benzene in supercritical water. Chinese Journal of Chemical Engineering, 2001. 9(2): p. 196-199.

[41]17. Zhou J. and Wang W.C., Molecular simulation of carbon dioxide adsorbed in a slit carbon pore. Chinese Journal of Chemical Engineering, 2001. 9(1): p. 34-38.

2000 (6)

[40]1. Li C.X., Wang W.C., and Wang Z.H., A surface tension model for liquid mixtures based on the Wilson equation, Fluid Phase Equilibria, 2000, 175, 185-196.

[39]2. Zhou J., and Wang W.C., Adsorption and Diffusion of Supercritical Carbon Dioxide in Slit Carbon Pores, Langmuir, 2000, 16, 8063-8070.

[38]3. Feng W., Wen H., Xu Z.H., and Wang W.C., Comparison of Perturbed Hard-Sphere-Chain Theory with Statistical Associating Fluid Theory for Square-Well Fluids, I. E. C. Res., 2000, 37(7), 2559-2567.

[37]4. Cao D., and Wang W.C., Coordination number models and equations of state for square-well pure and mixture fluids: I. Coordination number models and Monte Carlo simulation at high density, Chem. Eng. Sci., 2000, 55(11), 2099-2109.

[36]5. Cao D., and Wang W.C., Coordination number models and equations of state for square-well pure and mixture fluids: II. Equations of State, Chem. Eng. Sci., 2000, 55(11), 2111-2120.

[35]6. Cao D., Chan K. Y., Henderson D., and Wang W.C., Monte Carlo Data of Asymmetric Hard Sphere mixtures Near the Colloidal Limit, Molecular Physics,2000, 98(9), 619-624.

1999 (4)

[34]1. Feng W. and Wang W.C., A perturbed hard-sphere-chain equation of state for polymer solutions and blends based on the square-well coordination number model, I. E. C. Res., 1999, 38, 4966-4974.

[33]2. Feng W., and Wang W.C., Simplified hole theory equation of state for liquid -liquid equilibria of polymer solutions and blends, I. E. C. Res., 1999, 38,1140-1148.

[32]3. Gao G., Wang W.C., and Zeng X. C., Gibbs ensemble simulation of HCFC/HFC mixtures by effective Stockmayer potential,  Fluid Phase Equilibria, 1999, 158-160, 69-78.

[31]4. Hu Y., Liu H.L., and Wang W.C., Molecular thermodynamics for chain-like molecule systems, Fluid Phase Equilibria, 1999, 158-160, 59-68.

1998 (2)

[30]1. Qu Y. , Wang W.C., Lee Y. Y.,  Chung K. Y., and Lee Y. W., A GE/EOS equation of state mixing rule for vapor-liquid equilibria, Chinese Journal of Chemical Engineering, 1998, 6,198-212.

[29]2. Wang W.C., Liu X., Zhong C., Twu C. H., and Coon J. E., Group contribution simplified hole theory equation of state for liquid polymers and solvents and their solutions, Fluid Phase Equilibria, 1998, 144/1-2, 23-36.

1997 (6)

[28]1. Wang W.C., Liu X. , Zhong C., Twu C. H., and Coon J. E., Simplified hole theory equation of state for liquid polymers and solvents and their solutions, I. E. C. Res., 1997, 36, 2390-2398.

[27]2. Gao G., Zeng X. C., and Wang W.C., Vapor-liquid  coexistence of quasi-2D Stockmayer fluids, J. of Chem. Phys., 1997, 106, 3311-3317.

[26]3. Gao G., Woller J. B., Zeng X. C., and Wang W.C., Vapor-liquid equilibria of  binary mixtures containing Stockmayer  molecules, Journal of Physics, Condensed Matters, 1997, 9, 3349-3359.

[25]4. Gao G., Woller J. B., Zeng X. C., and Wang W.C., Solute-solvent size ratio dependence of the solute residual chemical potential in subcritical solvent, Molecular Physics, 1997, 90,141-145.

[24]5. Gao G., Wang W.C., and Zeng, X. C., Vapor-liquid equilibria for pure HCFC/HFC substances of Stockmayer potential molecules, Fluid Phase Equilibria, 1997, 137, 87-98.

[23]6. Gao G., and Wang W.C., Gibbs ensemble Monte Carlo simulation of binary vapor-liquid equilibria for CFC alternatives, Fluid Phase Equilibria, 1997, 130,157-166.

1996 (1)

[22]1. Wang W.C., Qu Y.X., Twu C.H., Coon, and John E., Comprehensive comparison and evaluation of the mixing rule of WS, MHV2, and Twu et al, Fluid Phase Equilibria, 1996, 116, 488.

1995 (3)

[21]1. Zhong C.L., Wang W.C., and Lu H., Open cell model equation of state for liquids. 2. polymer solutions and blends, Macromolecules, 1995, 28, 7737 -7743.

[20]2. Du L.-G., Wang W.C., Zheng D., and Fu J., Optimization of the Compositions  for CFC Alternative Mixture Refrigerants Chinese Journal of Chemical Engineering, 1995, 3, 32-38.

[19]3. Wu X., Shi J., and Wang W.C., A new simulation  approach to the entropy-related properties of fluids-- chemical potential and Helmholtz free energy of hard sphere liquids, Chinese J. of Chem. Eng., 1995, 3, 63-71.

1994 (3)

[18]1. Zhong C., Wang W.C. and Lu H., Open-Cell Model  Equation of  State  for Liquids 1. P-V-T Behavior for Liquids and Liquid Polymers, Macromolecules, 1994, 27, 660-665.

[17]2. Zhong C., Wang W.C., and Lu H., Application of the Simplified Hole Theory Equation of State to Polymer Solutions. Fluid Phase Equilibria, 1994, 102, 173-179.

[16]3. Liu H., Wang W.C. and Lu H., Correlation of diffusion coefficients for liquids and dense fluids with temperature and pressure, Chinese J. of Chem. Eng., 1994, 2, 171-180.

1993 (3)

[15]1. Zhong C., Wang W.C., and Lu H. Simplified  Hole Theory Equation of State for Polymer Liquids. Fluid Phase Equilibria, 1993, 86,137-146.

[14]2. Guo M., Li Y.-G., Wang W.C., and Lu H., Molecular Simulation  of the Enthalpies of Argon+Methane at Different Temperatures and Pressures, Thermochimica Acta, 1993, 221, 163-170.

[13]3. Zhong C., Wang W.C., and Fredenslund Aa., Description of Ternary Liquid-Liquid Equilibria Near the Critical Region by Scaling Law. Fluid Phase Equilibria, 1992, 83, 119.

1992 (1)

[12]1. Guo M., Wang W.C., and Lu H. Gibbs Ensemble Monte Carlo Simulation of Vapor-Liquid Equilibria for Simple Fluids. J. Chem. Ind. & Eng.(China)( in English), 1992, 7, 225.

1991 (2)

[11]1. Wang W.C. and Liang H., Monte Carlo Simulation of Ternary Lennard -Jones Dense Fluids with Different Molecular Sizes and Interaction Energies, Fluid Phase Equilibria, 1991, 67, 15.

[10]2. Liu H.Q., Wang W.C., Chang C.H..   Model with temperature Independent Parameters for the Viscosities of Liquid Mixtures, I. E. C. Res., 1991, 30,1617.

1990 (4)

[9]1. Guo M., Wang W.C. and Lu H., Equations of State for  Pure and  Mixture Square Well Fluids. I. Coordination  Number  Models, Fluid Phase Equilibria, 1990, 60, 37.

[8]2. Guo M., Wang W.C. and Lu H., Equations of State for  Pure and  Mixture  Square Well Fluids. II. Equations of  State, Fluid Phase Equilibria, 1990, 60, 221.

[7]3. Wang W.C. and Liang H.M., Computer Simulation of Coordination Number in Solutions-An Extrasimplified Close-Packed Rigid Spheres Model, Presented at 8th Intern. Conference on Computers in Chemical Research and Education, Beijing ,China, June, 1987, also in Selected Papers of Computers and Applied Chemistry  p60, Computers Chemistry Monograph Series 1, Science Press, Beijing, China, 1990.

[6]4. Wang H. and Wang W.C., Monte Carlo Simulation of Ternary Square Well Fluid Mixtures, Fluid Phase Equilibria, 1990, 60, 11.

1989 (1)

[5]1. Wang W.C. and Zhong C.L., Mixing Rules for Hydrogen-Containing Systems, Fluid Phase Equilibria, 1989, 47, 103.

1988 (1)

[4]1. Wang W.C. and Liu K., Calculation of Vapor-Liquid Equilibria for Hydrogen-containing Systems with Modified Peng-Robinsion Equation of State, J. Chem. Ind. and Eng.(China), English Edition, 1988, 4(2), 264.

1985 (1)

[3]1. Liang H.M., Wang W.C., Coordination Number for Rigid Sphere and Local Composition, Fluid Phase Equilibria, 1985, 24, 165.

1983 (2)

[2]1. Kim H., Wang W.C., Lin H. M., Chao K. C., Vapor-Liquid Equilibrium in  Binary Mixtures of  Nitrogen-Tetralin and Nitrogen-m-Cresol, J. Chem. Eng. Data, 1983, 28, 216.

[1]2. Wang W.C. and Chao K. C., The Complete Local Concentration Model Activity Coefficients, Chem. Eng. Sci., 1983, 38(9), 1483.

 

INVITED LECTURES AND PRESENTATIONS
42 Invited Lectures presented abroad in Universities and Companies of USA, Germany, Denmark, France, Italy, UK. The Netherlands, Japan, Korea, including Univ. of Delaware, Univ. of Pennsylvania, Princeton Univ., Case Western Reserve Univ., Univ. of Southern California, EXXON Res. & Eng. Co., R & D Center of Mitsubishi Chemical Company (Kurashiki, Japan), Univ. Elangen-Nurberg, Linde Company (Germany), Technical Univ. of Denmark, Technical University of Delft (the Netherlands), Seoul National Univ., Korea Univ., Osaka Univ. Kyushu Univ. Nihon Univ. (Japan), University of Rome, Laboratoire de Chimie, Ecole Normale Supérieure de Lyon
France, University of Amsterdam, Univesity of Cambridge etc.

58 presentations in international conferences. Amomg them, 28 invited plenary speakers and key note speakers in international conferences.

 

Daojian Cheng, Dapeng Cao and Wenchuan Wang(Invited session speaker), Hydrogen Storage in Porous Materials and Nanoalloys as Catalysts for Fuel Cell Application by Using Multiscale Simulation and Experimental Methods, 245th ACS National Meeting, New Orleans, USA, April 9, 2013.

Zhonghua Xiang, Dapeng Cao and Wenchuan Wang (Invited speaker) Adsorptive recovery of C02 by mesoporous materials- a multiscale simulation method, International CECAM Workshop: Future challenges in C02 reduction, Bremen, Germany, October 8 -12, 2012.

Liu ZP, Chen JF, Wang WC (Invited plenary speaker) A multiscale study of ILs: Mechanism of the dissolution of cellulose in IL-solvent systems by molecular simulation and CO2 capture by IL in the micro-pilot rotating packed bed,   The 3rd Asian-Pacific Conference on Ionic Liquids and Green Processes, Beijing, Sept 17-21, 2012

Wenchuan Wang (Invited plenary speaker), Dapeng Cao, Jianhui Lan , Zhonghua Xiang, Modification of Nano-porous Adsorbents by Doping Metals for CO2 Capture―First Principles Calculation, Molecular Simulation and Experiment, The 6th Joint China/Japan Chemical Engineering Symposium, Wuhan, China, June 22-23, 2011.

Dapeng Cao, Jianhui Lan , Zhonghua Xiang, Xiaohong Shao, Daojian Cheng and Wenchuan Wang*, Simulating and experimental syntheses of nano-porous materials for hydrogen Storage, Faraday Discussion 151: Hydrogen Storage Materials, STFC Rutherford Appleton Laboratory, Didcot, UK, 18-20, 2011.

Jianhui Lan, Dapeng Cao, and Wenchuan WangInvited Session SpeakerZhonghua Xiang , Doping of Alkali, Alkaline-earth and Transition metals in Covalent Organic Frameworks for Enhancing CO2 Capture by First Principles Calculation and Molecular Simulation, The 2010 International Chemical Congress of Pacific Basin Societies (Pacifichem), Honolulu, Hawaii, USA, December 15 - 20, 2010.

Wenchuan Wang (invited speaker), Dapeng Cao, Jianhui Lan, A multiscale method for simulating synthesis of nano-porous materials in CO2 capture, 3rd International Conference on Multiscale Structures and Systems, Beijing, June 12-13, 2010.

Wenchuan WangConcluding Remarks on the Workshop, 3rd French - Chinese Workshops on Supercritical fluids, Shanghai, June, 5-7, 2010.

Wenchuan Wang (Advisory Board Member), A speech at the ceremony for honoring professor Hu, 12th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD’10), Suzhou, May 16-21, 2010.

Dapeng Cao and Wenchuan Wang (Wenchuan Wang is invited for Chairing a Panel), NSF Workshop: Molecular Models for Carbon-Neutral Industrialization, Palm Desert, California, USA, April 10, 2010.

Wenchuan Wang (invited speaker), Dapeng Cao, Jianhui Lan, Xiaohong Shao and Guangshan Zhu, Nano-Porous Adsorbents for CO2 Capture – Simulating Syntheses, Preparations and Characterizations, US-China Workshop on Carbon Capture and Sequestration, 2009 Philomathia Forum on Energy and Environment, Peking University, Beijing, Nov. 11-12, 2009.

Jianhui Lan, Dapeng Cao and Wenchuan Wang (speaker), Simulating synthesis of nano-porous materials for hydrogen storage: covalent organic frameworks (COFs) and silicon fullerene --A multiscale method in computer simulation, China-US Joint Conference on Chemical Engineering, Beijing, Oct. 13-15, 2009.

Jianhui Lan, Daojian Cheng, Dapeng Cao and Wenchuan Wang (Speaker), Simulating synthesis of silicon nanotubes: a novel material for hydrogen storage by the multiscale method, 7th International Symposium on Advanced Technology (ISAT-7), October Beijing, 20-22, 2008.

Lan, Jianhui, Cheng, Daojian, Cao, Dapeng and Wang, Wenchuan (Invited Speaker), Hydrogen storage in a novel material of silicon nanotubes: from the first principle calculation to molecular simulation, China—France Workshop on Application of Supercritical Fluid Technology, Changchun, China, June 7-12, 2008.

Wenchuan Wang and Zhiping Liu (Invited plenary speaker), Ionic liquid systems: simulation and experiment, the 5th International conference on Separation Science and Technology, Beijing, China, Oct.14-16, 2007.

Wenchuan Wang (Invited plenary speaker), Suojiang Zhang, Daojian Cheng, Weixia Tu and Shiping Huang, Thermodynamics ― a tool dealing with environmental challenges, Eleventh International Conference on Properties and Phase Equilibria for Product and Process Design, , Crete, Greece, May 20-25, 2007Wenchuan Wang (Invited Plenary Speaker), Xiaohong Shao and Xuan Peng, Ruisheng Xue, Xuejun Zhang and Zengmin Shen, Experiment, modeling and molecular simulation of carbonaceous nano-porous materials on hydrogen and methane adsorption and separation, 2006 International conference on Nano Technology and Advanced Materials, Hong Kong, Nov. 1-3, 2006.

Wenchuan Wang (Keynote Speaker) et al., Adsorption of methane and hydrogen on meso-carbon microbeads by experiment and molecular simulation, The 4th pacific basin conference on adsorption science and technology, Tianjin, China, May 22-25, 2006.

Wenchuan Wang (Invited speaker) and Zhiping Liu, Force fields and MD simulations for ionic liquid systems, 231 ACS Meeting, Atlanta, US, Mar 26, 2006.Wenchuan Wang(Invited keynote speaker), Xianren Zhang and Xiaohong Shao, Heterogeneities of energy and geometry for meso pores in adsorption buy molecular simulation and density functional theory, The 10th Asian Pacific Confederation of Chemical Engineering, Kitakyushu, Japan, Oct. 17-21, 2004.

Xiaoming Chen and Wenchuan Wang, Binary Adsorption of Benzene-Propylene Alkylation System under Supercritical Condition in ZSM-5: Monte Carlo Simulation, Super Green’2004, Tianjin, China, Oct. 23-27, 2004.Shiping Huang, Zhiping Liu and Wenchuan Wang, The melting behavior of bimetallic Cu-Ni nanocluster on static graphite substrate: a molecular dynamics simulation, Proceedings of the on Separation Science and Technology, Proceedings of the 4th International Conference on Separation Science and Technology, Nanning, Guanxi, China, 18-21, April, 2004.

Zhiping Liu, Xiaoping Wu, Shiping Huang and Wenchuan Wang, Molecular dynamics simulation of ionic liquids with imidazolium cations, Proceedings of the on Separation Science and Technology, Proceedings of the 4th International Conference on Separation Science and Technology, Nanning, Guanxi, China, 18-21, April, 2004.

Z. Liu, X. Wu, S. Huang and W. Wang, A refined force field for the molecular simulations of imidazolium-based ionic liquids, the 18th IUPAC Intern. Conference on chemical thermodynamics, Beijing, Aug. 17-21, 2004

Wenchuan Wang(Plenary speaker), Xiaohong Shao, Ruisheng Xue and Zengmin Shen, Adsorption of methane and hydrogen on meso-carbon microbeads by experiment and molecular simulation, International Symposium on Natural Resources Processing—Science and Technology, Tianjin, China, Oct. 24-26, 2003.

Xiaohong Shao,Wenchuan Wang, Ruishheng Xue, Zengmin Shen, Using Pore Size Distribution to study Adsorption of Methane in Activated Meso-carbon Microbeads by Molecule Simulation Carbon2002, Beijing, China,

Xianren Zhang and Wenchuan Wang , Adsorption of Hydrogen in Single Walled Carbon Nanotubes Arrays by Density Functional Theory, Cabon2002, Beijing, China,

Wenchuan Wang (invited plenary speaker), Congratulatory Speech on the 40th Anniversary of the Korean Institute of Chemical Engineers, Annual Meeting of KIChE, Seaol, Korea, Nov. 25, 2002.

Xianren Zhang, Wenchuan Wang ( invited speaker), and Guangfeng Jiang, Potential models and heterogeneity of cylindrical pores, Yantze International Conference of Fluids and Interfaces, Najing-Three Gorges-Chongqing, Oct. 12-18, 2002.

Xianren Zhang and Wenchuan Wang, Adsorption of ethane in single walled carbon nanotubes square arrays by molecular simulation, The 3rd China-Korea Conference on Separation Science and Technology, Hangzhou, China, Oct. 31-Nov. 2, 2001.

Hu, Ying, Liu, Honglai and Wang, Wenchuan, Molecular thermodynamics concerning complex materials, 9th International Conference on Properties and phase equilibria for product and process design, Kurashiki, Japan, May 20-25, 2001.

Xianren Zhang and Wenchuan Wang, Adsorption in single walled carbon nanotubes arrays by molecular simulation and density functional theory, 9th International Conference on Properties and phase equilibria for product and process design, Kurashiki, Japan, May 20-25, 2001.

Jin, Wenzheng and Wang, Wenchuan, Computer simulation of adsorption recovery of HCFC-22, Proccedings of the 3rd Joint China/USA Chemical Engineering Conference, 05-147, Beijing, Sept. 25-28, 2000.

Wang, Wenchuan and Feng, Wei, Some developments in perturbed hard sphere chain equations of state for polymer solutions, p11, International Symposium on Polymer Modification and Composites, Beijing, Sept. 20-22, 2000

Gao, G., Wang, Wenchuan, and Zeng, X. C., Gibbs ensemble simulation of HCFC/HFC mixtures by effective Stockmayer potential, presented in the 8th International Conference on Properties and Phase Equilibria for Product and Process Design, Noordwijkerhout, The Netherlands, April 26-May 1, 1998.

Hu, Y., Liu, H., and Wang, Wenchuan (invited plenary presentation), Molecular Thermodynamics for Chain Like Molecules, presented in the 8th International Conference on Properties and Phase Equilibria for Product and Process Design, Noordwijkerhout, The Netherlands, April 26-May 1, 1998.

Feng, W., and Wang, Wenchuan, Simplified hole theory equation of state for liquid -liquid equilibria of polymer solutions and blends, presented in the 8th International Conference on Properties and Phase Equilibria for Product and Process Design, Noordwijkerhout, The Netherlands, April 26-May 1, 1998.

Cao, D.,and Wang, Wenchuan, Molecular simulation of natural gas adsorption storage in activated carbon pores, Proceedings of the Second China-Korea Conference on Separation Science and Technology, Aug. 24-27, Qingdao, China, also in " Advances in Separation Science and Technology", Editors Rong, B., et al., pp 42-47,China Environmental Science Press, Beijing, 1998.

Reng, B., Wang, F., Wang, Wenchuan, A Model for the Measurement of Infinite Dilution Activity Coefficient with RPLC, Proceedings of the Second China-Korea Conference on Separation Science and Technology, Aug. 24-27, Qingdao, China, also in " Advances in Separation Science and Technology" pp147-150, Editors Rong, B., et al., China Environmental Science Press, Beijing, 1998.

Gao, G., Woller, J., Zeng, X.-C., Wang Wenchuan, Vapor-liquid equilibria of binary containing dipolar molecules, Proceedings of the Second Joint China/USA Chemical Engineering Conference, Beijing, China, May19-22, 1997.

Wang, Wenchuan (invited plenary speaker), Liu, X., Zhong, C., C. H. Twu, and J. E. Coon, Group Contribution simplified hole theory equation of state for liquid polymers and solvents, and their solutions, Second Intern. Symp. on Mol. Thermodn. and Mol. Simulation, Tokyo, Jan. 12-15, 1997

Wang, Wenchuan(invited plenary speaker), Simplified hole theory equation of state for activity coefficients and solubilities of polymer solutions, &th Intern. Symp. on Solubility Phenomena, Leoben Austria, July 22-25, 1996.

Wang, Wenchuan (invited speaker) and Qu, Y., Comprehensive comparison and evaluation of the WS, MHV2, Twu and CWSM mixing rules. Vol. 1, No 1, p19, Theories and Applications of Chemical Engineering, Proceedings of Korean Inst. of Chem. Engrs. National Meeting, Suwan, Korea, April, 1995

Gao, G. and Wang, Wenchuan, Gibbs ensemble Monte Carlo simulation of binary vapor-liquid equilibria for CFC alternatives, p19, Proceedings'95 China-Korea Conference on Separation Science and Technology, Tianjin, China, Aug. 21-24, 1995.

Qu, Y. and Wang, Wenchuan, A predictive equation of state/UNIFAC method for vapor-liquid equilibria, p102, Proceedings'95 China-Korea Conference on Separation Science and Technology, Tianjin, China, Aug. 21-24, 1995.

Wang, Wenchuan, Zhong, C., and Lu, H., Simplified Hole Theory of State for Polymer Liquids, Group Contribution Method and Its Application to Polymer Solutions and Blends, presented in the International Symposium on Molecular Thermodynamics and Molecular Simulation, Kyoto, Japan, Jan. 9-13, 1994.

Wang, Wenchuan (invited plenary speaker), Zhong, C. and Lu, H., Equations of state for liquids and polymer solutions-- new development of the hole-cell theory, p9, Proceedings of the First International Joint Symposium between Beijing University of Chemical Technology and Chungnam National University (Korea), Beijing, Oct. 10-11, 1994. Chemical Industry Press, Beijing, 1994.

Zhong, C. and Wang, Wenchuan, Description of Phase Behavior for Pure Fluids Near the Critical Region by Scaling Law, Presented at the 13th Inter. CODATA Conference, Beijing, Oct. 19-22, 1992, also in the Journal of Beijing Inst. of Chem. Tech., 21, 1 (1994).

Zhong, C., Wang, Wenchuan and Lu, H., Open-cell model equation of state for liquids and liquid polymers, p165, Proceedings of the International Symposium on Thermodynamics in Chemical Engineering and Industry, Beijing, May 24-27, 1994

Liu, H., Liang, Q. and Wang, Wenchuan, Models for the Transport Properties of CFC Refrigerants and their Alternatives. Proceedings of the International Conference on CFCs and Halon Alternatives, p262, Beijing, April 20, 1993.

Zhong, C., Wang, Wenchuan, and Lu, H., Simplified Hole Theory Equation of State for Polymer Liquids, Proceedings of the 2nd Joint Meeting on Applied Science and Technology, Beijing Inst. Chem. Tech. and Science University of Tokyo, P151, Chem. Ind. Press, Beijing, 1992.

Liu, H., Wang, Wenchuan and Chang, J., The Liquid Viscosities of Pure Substances and Mixtures under Ordinary and High Pressures, The 4th World Congress of Chemical Engineering, Karlsrure, Germany, June, 1991.

Guo, M.-X., Wang, Wenchuan, Lu, H. and Zhang, C. L., Monte Carlo Simulation Method for the Prediction of Thermodynamic Properties of Fluids, Presented at 46th Annual Calorimetry Conference, DeKalb, Illinois, July 28-Aug. 1, 1991.

Wenchuan Wang, A. Fredenslund and H. Liu, Application of the Local Fluidity Viscosity Model to High Pressures and Vapor-Liquid Phases, Presented in the AIChE Spring 1991 National Meeting, Houston, April 7-11, 1991

Wang, Wenchuan, Liang, H. and Lu, H., Computer Monte-Carlo Simulation of High Density and Multicomponent Square Well Mixture Fluids, Presented at IUPAC Conference on Chemical Thermodynamics, Beijing, Aug. 25-28, 1989.

Wenchuan Wang and Kunyuan Liu, Calculation of Vapor-Liquid Equilibria for Hydrogen-Containing Systems, Proceedings of Intern. Symp. on Thermodynamics in Chem. Eng. &. Ind. Vol. 1, p253, Beijing, China, May, 1988.

Jin, G. Chen, K. Liu , Wenchuan Wang and S. Han, Collection and Evaluation of Low Pressure Vapor-Liquid Equilibrium Data Published in China, ibid., Vol. 2, P639, Beijing, China, May, 1988

Kim, W. A. Leet, Wenchuan Wang, H. M. Lin, K. C. Chao, Equilibrium Vaporization of Coal Liquids and Their Mixtures with Hydrogen, Presented at AIChE Annual Meeting, Los Angeles, Nov., 1982.