Saturday, December 30, 2006

Thermodynamic Properties Research

Prediction of L-L phase equilibrium properties for complicated macromolecular systems by artificial neural network

Molecular Dynamic Simulation

Molecular dynamic simulation based on the M.DynaMix Program. CHARMM 27 force field are used to simulate the density of Ionic liquid ([Bmin][PF6]), and the result is well agree with the experiment data.

QSPR

QSPR research based on the CODESSA package

Global Warming-CO2 Separation & Capture

Againist Global Warming is a very important thing to everyone in 21 century. Capture and Separation of Greenhouse Gases CO2--The Challenge and Opportunity for Separation Technology

Health, Safety and Environment management system

HSE management system are widely used in the the petroleum and petrochemical area.

Nanofiltration membrane

Friday, December 29, 2006

Project management

Research Background

I major in chemical engineering and technology. When I was a senior, I began to develop my graduate research work about the preparation and characterization for polymer ultrafiltration membrane。The polysulfone and NMP are used as the polymer and solvent separately. The plat-sheet ultrafiltration membrane had been prepared by phase inversion method, which is one of the most used and thus important techniques for the membrane formation. Moreover the pore size and size distribution had been characterized by Atomic force microscope, and Scanning electron microscope. The flux and rejection rate were also determined.
After graduated, I continue to take the master dissertation. My research work is mainly focused on the transport and membrane separation. I began to develop the research work for nanofiltration membrane based on the ultrafiltration membrane. The piperazine and 1,3-Benzenedicarbonyl Dichloride were used as the organic and inorganic solvent, and the interfacial polymerization method was used to prepare the nanofiltration membrane. After that, I use the prepared membrane to separate the salt and dyestuff from solution, and the ultraviolet spectrophotometer, gel-chromatogram and ionic chromatogram were used as the analysis instruments. As to the separation performance of nanofiltration membrane, the rejection rate for bivalent ions can arrive 90%, but for univalent ions, it can only arrive 30% nearly. Moreover, I had done some research work about the hollow fiber nanofiltration membrane. During my master dissertation, I have done some computer simulation about the prediction of thermodynamic phase equilibrium properties for polymer membrane formation system. The equilibrium phase diagram is still a good tool for controlling the morphology and interpreting the membrane structure. Knowledge of phase equilibria (binodal curve) enables one to change the conditions for the preparation of membrane such as the temperatures and compositions of casting solutions and of coagulation bath to obtain an optimum structure. Therefore, the binodal curves of polymer systems are very important in the process of membrane formation. However, there are only a few experimental data of liquid–liquid equilibrium (LLE) for ternary polymer membrane formation systems available in the open literatures, On the other hand, the models based on the thermodynamics principle, such as Flory–Huggins model, poly-NRTL model, and so on, however, are usually not applicable to describe accurately the nonideal behavior of complex systems due to certain assumptions and simplifications. So I begin to develop the research work about the prediction of binodal curve for PSF/DMAC/water system based on artificial neural network.

nural network

//****************************************************************/// Artificial Neural Network procedure, Copyright by Xuezhong He, Finished on July 15, 2003. Zhengzhou University *///

the Neural network was coded by C++ language based on Levenberg-Marquardt algorithm, It can be used to predict the binodal of polymer membrane formation system,and show very good results*///it also can be used predic the thermodynamic properties of other systems, such as the solubility of*/// protein system,just need to modify some parameters

//***********BP neural network program based on the Levenberg-Marquardt(L-M)algorithm************//

Membrane

We can use the CMS-membrane to separate the CO2 from air, which can be used to against the global warming.