Difference between revisions of "Baofu Qiao"

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{{Person
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|name=Qiao, Baofu
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|room=209
phone=63607
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|phone=63607
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image=Qiao_Baofu.jpg
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|image=Qiao_Baofu.jpg
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Dr. Qiao got his PhD degree in 2006 at Institute of Chemistry, Chinese Academy of Sciences, where he majored in Polymer Physics and learned Statistical Thermodynamics and Monte Carlo simulation method. His PhD Dissertation was "Statistical Thermodynamics of Polymer Fluid Systems". Since as early as 2005, he stated to investigate charged systems, e.g., [http://www.ica1.uni-stuttgart.de/~icp/Ionic_Liquids ionic liquid], [http://www.ica1.uni-stuttgart.de/~icp/Polyelectrolyte_Multilayers Polyelectrolyte Multilayers] and surfactant via various simulation apporaches.
 
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== '''Selected Publications:''' ==
== '''RESEARCH EXPERIENCES:''' ==
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Please see [http://www.researcherid.com/rid/F-9440-2010 here] for a complete list.
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'''Polyelectrolyte Multilayer'''
 
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<bibentry> qiao11b, qiao11a, qiao10a, cerda09b </bibentry>
'''2009.4 - present:''' MD and CG simulations
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'''Ionic Liquid'''
 
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<bibentry> sun10a, qiao08a  </bibentry>
Due to the unique properties, Polyelectrolyte Multilayers (PEM), which are built up from self-assembly of polyelectrolytes using Layer-by-Layer technique, have been found applications ranging from optimical matirials, sensors and medicine, etc. However, the huge experimental success on building such materials is not actually corresponded with a clear understanding of the basic physical phenomena, which are involved in the successful formation of PEM and the properties that PEMs display in lab. The major goal is to develop a consistent PEM model that resembles the experimental system. we will clarify the factors critical to stabilize the PEM formation, and explain the mechanism in the formation of exponential growing films.
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'''Surfactant'''
 
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<bibentry> duan09a </bibentry>
Studying the mechanism of cellulose dissolution in Ionic Liquids. In cooperation with Prof. Dongju Zhang (Shandong University, China)
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Statistical Thermodynamics
 
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<bibentry> qiao04a </bibentry>
 
 
'''2007.12 - 2009.3:''' MD, QM and DPD simulations
 
 
 
''Assistant Professor at Institute of Chemistry, Chinese Academy of Sciences''
 
 
 
Studying the mechanism of cellulose dissolution in Ionic Liquids based on hydrogen bond interaction investigation. Three ionic liquids are involved, i.e., 1,3-dimethylimidazolium chloride, 1-butyl-3-methylimidazolium chloride, and 1-Allyl-3-methylimidazolium Chloride. Because the OPLS-AA force field for glucose is focusing on alpha-glucose, the force field parameters of beta-glucose are developed hereby, and also those of 1-Allyl-3-methylimidazolium Chloride.
 
 
 
Instructed a PhD student to study Critical Micelle Concentration (CMC) behavior of water/gas/surfactant systems with different surfactants.
 
 
 
 
 
'''2006.7 - 2007.11:''' MD simulation
 
 
 
''Guest scientist at Frankfurt Institute for Advanced Studies''
 
 
 
''Member of the theory group at Max-Planck Institute for Polymer Research (Mainz)''
 
 
 
Room-temperature ionic liquids, advertised as "green solvents" and "designer solvents", have received an ever-increasing interest in recent decades. Our work is focusing on understanding the dyanmics and microscopic structures of ionic liquids. Classical molecular dynamics simulations are performed to systematically study the effect of anions on the structure and dynamics of ionic liquids.  
 
 
 
 
 
'''2002.9 - 2006.5:''' Statistical Mechanics, MC and MD simulations
 
 
 
''PhD candidate at Institute of Chemistry, Chinese Academy of Sciences''
 
 
 
Proposed and simulated the concept of "volume fraction at chain-end" to overcome the mean-field approximation in Flory-Huggins theory. Presented a theory of polymer solution systems based on this concept.
 
 
 
Studied the phase diagram, the negative pressure, the solubility parameter, the vapor pressure and some other properties of pure polymer fluid systems by extending our group's theory.
 
 
 
Participated a project to study the effects of polymers in surfactant/oil/water systems. In cooperation with professor Xiaozhen Yang.
 
 
 
 
 
== '''Publications:''' ==
 
 
 
1. Structure of 1-Butylpyridinium Tetrafluoroborate Ionic Liquid: Quantum Chemistry
 
and Molecular Dynamic Simulation Studies
 
H. Sun, B. Qiao, D. Zhang and C. Liu, J. Phys, Chem. A, 114, 3990-3996 (2010).
 
 
 
2. Understanding Polyelectrolyte Multilayers: an open Challenge for Simulations
 
J. J. Cerdá, B. Qiao and C. Holm, Soft Matter, 5, 4412-4425 (2009).  
 
 
 
3. Modeling Strategies for Polyelectrolyte Multilayers
 
J. J. Cerdá, B. Qiao and C. Holm, Eur. Phys. J. Special Topics, 177, 129-148 (2009).
 
 
 
4. Description of Ionic/Surfanctant/Water System by Adjusting Mesoscopic Parameters
 
B. Duan, X. Zhang, B. Qiao, B. Kong and X. Yang, J. Phys. Chem. B, 112, 8854-8859,
 
(2009).
 
 
 
5. Effect of Anions on Dynamic, Static Orientational Correlations and Hydrogen
 
Bonds in Ionic Liquids: A Simulation Study
 
B. Qiao, C. Krekeler, R. Berger, L. Delle Site and C. Holm, J. Phys. Chem. B, 112, 1743-
 
1751 (2008).
 
Times cited: 21 (May 31, 2010)
 
6. A Comparative Study of two Classical Force Fields on Statics and Dynamics of
 
[EMIM][BF4] Investigated via MD Simulations
 
F. Dommert, J. Schmidt, B. Qiao, Y. Zhao, C. Krekeler, L. Delle Site, R. Berger and C.
 
Holm, J. Chem. Phys., 129, 224501 (2008).
 
 
 
 
 
7. Study of 1,3-Dimethylimidazolium Chloride with Electronic Structure Methods
 
and Force Field Approaches
 
C. Krekeler, J. Schmidt, Y. Zhao, B. Qiao, R. Berger, C. Holm and L. Delle Site, J. Chem.
 
Phys., 129, 174503 (2008).
 
 
 
8. A Theoretic Method to Predict Polymer Solubility Parameters
 
Q. Ji, B. Qiao and D. Zhao, Chin. J. Polym. Sci., 25, 203-206 (2007).
 
 
 
9. Van der Waals Condensed Behavior of Polymer Fluids
 
B. Qiao and D. Zhao, Chem. J. Chinese Univ., 27, 1779-1781 (2006).
 
 
 
10. A Theory of Polymer Solutions Without the Mean-Field Approximation in
 
Flory-Huggins Theory
 
B. Qiao and D. Zhao, J. Chem. Phys., 121, 4968-4973 (2004).
 
 
 
11. Theory of Polymer Solutions Based on Volume Fractions at Chain-end
 
B. Qiao, Z. Yang and D. Zhao, Chem. J. Chinese Univ., 25, 2144-2147 (2004).
 
 
 
12. Calculation of Thermodynamics Properties of Polymer Solutions by Path Integral
 
Method
 
B. Qiao and D. Zhao, Acta Polym. Sin., 2, 153-159 (2004).
 

Latest revision as of 10:59, 2 July 2012

As Baofu Qiao is not a member of our working group anymore, the information on this page might be outdated.
Qiao Baofu.jpg
Dr. Baofu Qiao
Postdoc
Office:209
Phone:+49 711 685-63607
Fax:+49 711 685-63658
Email:qiaobf _at_ icp.uni-stuttgart.de
Address:Dr. Baofu Qiao
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany

Dr. Qiao got his PhD degree in 2006 at Institute of Chemistry, Chinese Academy of Sciences, where he majored in Polymer Physics and learned Statistical Thermodynamics and Monte Carlo simulation method. His PhD Dissertation was "Statistical Thermodynamics of Polymer Fluid Systems". Since as early as 2005, he stated to investigate charged systems, e.g., ionic liquid, Polyelectrolyte Multilayers and surfactant via various simulation apporaches.

Selected Publications:

Please see here for a complete list.

Polyelectrolyte Multilayer
Ionic Liquid
Surfactant
Statistical Thermodynamics