Programs

The following are some programs developed by Zhaoxiang Deng during his Ph.D. thesis work with Prof. Xiangqin Lin.

(1) EC-NETSIM 1.0
When used in conjunction with an electronic simulator such as PSpice, this software can serve to simulate virtually any electrochemical problems that can be approximated by Butler-Volmer electron-transfer kinetics coupled with arbitrarily complicated homogeneous chemistry at a planar, spherical, cylindrical or rotating-disk electrode. Simulation of a purely surface-confined process has also been made possible. The basic idea in building this program is to transfer electrochemical problems into electric circuit networks that can be readily solved by an electronic simulation package. Hence at least a free student version of the PSpice package is needed to fulfill basic simulations. Some other programs within the Spice family available on the internet may work for limited cases (in other cases either memory or convergence will be a problem). The author strongly suggests a full version of PSpice (version 5.0 or later) in order to achieve a fully functioning simulator. EC-NETSIM 1.0 is available for free (AS COPYRIGHTED FREEWARE) assuming the program is in its entirety and a specified reference (see following) has been properly cited in any related publications. Note: EC-NETSIM can only help you convert your specific electrochemical problems into PSpice netlist files. Therefore EC-NETSIM is only suitable for those who already or will have access to a PSpice program that can do the rest part of the simulation job for you.


Please cite this paper if you are going to publish any data produced with the help of EC-NETSIM:
Zhao-Xiang Deng, Xiang-Qin Lin, Zhong-Hua Tong, "Universal electrochemical/chemical simulator based on an exponentially expanding grid network approach", Chinese J. Chem. 22, 719~726, 2004 (PDF)

Other EC-NETSIM related papers:
1) Zhao-Xiang Deng, Xiang-Qin Lin, Zhong-Hua Tong, "Exponentially expanded grid network approach: validity for simulation of electrochemical transient process on spherical, cylindrical and rotating disk electrodes", Chinese J. Chem. 23 (2), 166~172, 2005
2) Zhao-Xiang Deng, Xiang-Qin Lin, Zhong-Hua Tong, "Exponentially expanded grid network approach: validity for simulation of stiff electrochemical problems", Chinese J. Chem. 21, 1137~1145, 2003
3) Zhao-Xiang Deng, Xiang-Qin Lin, Zhong-Hua Tong, "An algorithm for judgment of the thermodynamic self-consistency of an electrochemical/chemical reaction system", Acta Chimica Sinica, 60(8), 1415~1418, 2002
4) Zhao-Xiang Deng, Xiang-Qin Lin, "Digital simulation by network approach for the cyclic voltammograms with the electroactive species partially adsorbed at the electrode surface", Chin. J. Anal. Chem. 28(8), 930~935, 2000
5) Zhao-Xiang Deng, Xiang-Qin Lin, "Simulation of ultra-fast voltammograms by network approach", Chin. J. Anal. Chem. 27(12), 1376~1380, 1999

Some application examples of EC-NETSIM:
1) Wei Wang, Hua Cui, Zhaoxiang Deng, Yongping Dong, Jizhao Guo, "A general E-E/C mechanism for the counter-peak in luminol electrochemiluminescence", J. Electroanal. Chem. 612, 277-287, 2008
2) Zhao-Xiang Deng, Zhong-Hua Tong, Xiang-Qin Lin, "Global evaluation of linear sweep voltammetric responses with electroactive species confined at the electrode surface", J. Electroanal. Chem. 568, 235~245, 2004
3) Xiayan Wang, Zhaoxiang Deng, Baokang Jin, Yupeng Tian, Xiangqin Lin, "Study on the spectroelectrochemical properties of S-benzyl-N-(ferrocenyl-1-methyl-metylidene)-dithio- carbazate nickel (II) complex", Spectrochim. Acta (A), 58, 3113~3120, 2002
4) Xiayan Wang, Zhao-Xiang Deng, Baokang Jin, Yupeng Tian, Xiang-Qin Lin, "Electrochemical and in-situ SNIFTIR Spectroscopic Studies of Palladium (II) and Zinc (II) Schiff Base Complexes: Structural Control on the Electronic Communication between Two Identical Redox Sites", Bull. Chem. Soc. Japan, 75(6), 1269~1273, 2002
5) Xiayan Wang, Zhao-Xiang Deng, Baokang Jin, Yupeng Tian, Xiang-Qin Lin, "Electrochemical and in situ FTIR Studies of Biferrocene Trinuclear Platinum Complex", Electrochim. Acta, 47, 1537~1543, 2002

(2) WAVE 98
This is a software that can be used to transfer waveform data from a Tektronix TDS340 digital oscilloscope (should work with other models after minor revisions) to a PC via a standard RS232 port. It was originally built for an ultrafast voltammetric system using TDS340 for high speed data recording.

(3) Various small programs written in Turbo C 2.0 for electrochemical simulations (see following publications).
1) Zhao-Xiang Deng, Xiang-Qin Lin, Zhong-Hua Tong, "Single alternating group explicit (SAGE) method for electrochemical finite difference digital simulation", Chin. J. Chem. 20(3), 252~262, 2002
2) Zhao-Xiang Deng, Wei Zhao, Xiang-Qin Lin, "Simplex optimization-numerical simulation method for FCV curve fitting", Chin. J. Anal. Chem. 27(4), 383~387, 1999
3) Zhao-Xiang Deng, Xiang-Qin Lin, "Digital simulation of fast cyclic voltammograms by integration of the double layer charging current", J. Electroanal. Chem. 464(2), 215~221, 1999
4) Xiang-Qin Lin, Zhao-Xiang Deng, "An improved electrochemical numerical simulation for the characterization of the influences of uncompensated solution resistance on cyclic voltammograms." J. Anhui Normal Univ.21(4), 333~338, 1998

To require a free copy of our EC-NETSIM program please feel free to contact: Dr. Zhaoxiang Deng.

Current ecNetSim users are from:

1) China (University of Science and Technology of China)
2) USA (Stanford University)
3) Argentina (Universidad Nacional de Rio Cuar)
4) Malaysia
5) Pakistan (University of Engineering & Technology)
6) Belgium (IMEC research center)
7) India (Dept of EC, SJCIT at VTU)
8) Ethiopia (Dept of Chem, Addis Ababa University)
9) Egypt (Chemistry Department, Tanta University)
10) Thailand (Physics Department, Mahidol University)


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