蒙特卡罗法估算真实溶液的无限稀释活度系数

doi:10.3866/PKU.WHXB19950618

Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (06): 568-571.doi: 10.3866/PKU.WHXB19950618

• Note • Previous Articles Next Articles

A Method for the Estimation of Infinite Dilution Activity Coefficient for a Real Solution by Monte Carlo Simulation

Bao Jian-Bin,Han Shi-Jun

Department of Chemistry,Zhejiang University,Hangzhou 310027

Received:1994-05-18 Revised:1994-11-28 Published:1995-06-15
Contact:

Abstract

Bao Jian-Bin,Han Shi-Jun. A Method for the Estimation of Infinite Dilution Activity Coefficient for a Real Solution by Monte Carlo Simulation[J]. Acta Phys. -Chim. Sin. 1995, 11(06), 568-571. doi: 10.3866/PKU.WHXB19950618

[1]	Bai XUE,Tiannan CHEN,J. Ilja SIEPMANN. Efficient Calculation of Absorption Spectra in Solution: Approaches for Selecting Representative Solvent Configurations and for Reducing the Number of Explicit Solvent Molecules [J]. Acta Phys. -Chim. Sin., 2018, 34(10): 1106-1115.
[2]	Zhen ZHANG,Wen-Jun XIE,Yi Isaac YANG,Geng SUN,Yi-Qin GAO. Simulation Studies of the Self-Assembly of Halogen-Bonded Sierpiński Triangle Fractals [J]. Acta Phys. -Chim. Sin., 2017, 33(3): 539-547.
[3]	XIONG Hai-Ling, YANG Zhi-Min, LI Hang. Coupling Effects of Diffusive Model and Sticking Model on Aggregation Kinetics of Colloidal Particles：A Monte Carlo Simulation Study [J]. Acta Phys. -Chim. Sin., 2014, 30(3): 413-422.
[4]	REN Xiu-Bin, ZHOU An-Ning, ZHANGJie-Bing. A Kinetic Monte Carlo Simulation on Forced Oscillations of Methane Partial Oxidation [J]. Acta Phys. -Chim. Sin., 2014, 30(11): 2009-2014.
[5]	LIU Guan-Feng, HUANG Jian-Hua. Monte Carlo Simulation on the Structures of a Nanoparticle/ Copolymer Mixed System [J]. Acta Phys. -Chim. Sin., 2012, 28(02): 309-314.
[6]	ZHENG Hui, SHEN Liang, BAI Bin. Monte Carlo Simulation of a Lattice Model for the Intermetallic Compound NiAl [J]. Acta Phys. -Chim. Sin., 2009, 25(12): 2531-2536.
[7]	REN Xiu-Bin; LI Huan-Ying; GUO Xiang-Yun. Oscillatory Behavior during the Partial Oxidation of Methane [J]. Acta Phys. -Chim. Sin., 2008, 24(02): 197-200.
[8]	YANG Zhen;XU Zhi-Jun;YANG Xiao-Ning. Structures of Binary Hard-core Repulsive Yukawa Mixtures Near Solid Surfaces from DFT [J]. Acta Phys. -Chim. Sin., 2006, 22(12): 1460-1465.
[9]	JIA Yu-Xiang; GUO Xiang-Yun. Monte Carlo Simulation of Adsorption Process of CO and H₂ in Supercritical Fluids [J]. Acta Phys. -Chim. Sin., 2005, 21(03): 306-309.
[10]	Le Yuan; Chen Jian-Feng; Wang Wen-Chuan. Determination of Pore Size Distribution of Silica Hollow Microspheres by Experiment and Simulation [J]. Acta Phys. -Chim. Sin., 2004, 20(11): 1303-1307.
[11]	Huang Jian-Hua;Zhu Chao-Ying;Luo Meng-Bo. Monte Carlo Simulation on Surfactant-Polymer Mixed System [J]. Acta Phys. -Chim. Sin., 2004, 20(07): 690-695.
[12]	Cao Da-Peng;Wang Wen-Chuan;Shen Zhi-Gang;Chen Jian-Feng. Determination of Optimum Pressure for Supercritical Methane Adsorbed in Nano-material [J]. Acta Phys. -Chim. Sin., 2001, 17(10): 940-943.
[13]	Liang Shi-Qiang;Zhang Bing-Jian;Lu Ying-Hong;Hu Wen-Xuan;Jin Zhi-Jun. New Perturbation Theory Model for Chainlike Molecule Fluid and the Predicted Heat Capacity [J]. Acta Phys. -Chim. Sin., 2001, 17(05): 416-421.
[14]	Zhang Yu, Jin Xin-Yu, Chen Kang-Sheng. Simulation Analysis of Active Particles in Plasma Polymerization Film Deposition [J]. Acta Phys. -Chim. Sin., 2000, 16(10): 892-898.
[15]	Jin Wen-Zheng, Wang Wen-Chuan. Monte Cario Simulation of the Chemical Potentials of N₂-C₆H₆ Mixture [J]. Acta Phys. -Chim. Sin., 2000, 16(03): 253-257.

A Method for the Estimation of Infinite Dilution Activity Coefficient for a Real Solution by Monte Carlo Simulation

PDF

Like

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Metrics

Recommended 0