A neural network-based method for estimation of binary gas diffusivity

Abstract In this study, a feedforward three-layer neural network is developed to predict binary diffusion coefficient (DAB) of gases at atmospheric pressure over a wide range of temperatures based on the critical temperature (Tc), critical volume (Vc) and molecular weight (M) of each component in the binary mixture. The accuracy of the method is evaluated through a test data set not used in the training stage of the network. Furthermore, the performance of the neural network model is compared with that of well known correlations suggested in the literature. The results of this comparison show that our developed method outperforms other correlations, with respect to accuracy as well as extrapolation capabilities.

[1]  Reza Eslamloueyan,et al.  Estimation of thermal conductivity of pure gases by using artificial neural networks , 2009 .

[2]  Simon Haykin,et al.  Neural Networks: A Comprehensive Foundation , 1998 .

[3]  H. M. Ghule,et al.  Electrodeless discharge as detector in the rapid determination of binary diffusion coefficient of gases , 1969 .

[4]  Ting-chia Huang,et al.  Determination of Gas‐Vapor Binary Diffusion Coefficient by Gas Chromatography , 1968 .

[5]  D. Othmer,et al.  Correlating Diffusion Coefficients in Binary Gas Systems. Use of Viscosities in a New Equation and Nomogram , 1962 .

[6]  Edward A. Mason,et al.  Gaseous Diffusion Coefficients , 1972 .

[7]  Mohammad Ali Moosavian,et al.  Characterization of basic properties for pure substances and petroleum fractions by neural network , 2005 .

[8]  J. Giddings,et al.  NEW METHOD FOR PREDICTION OF BINARY GAS-PHASE DIFFUSION COEFFICIENTS , 1966 .

[9]  J. Giddings,et al.  Temperature Dependence of Gas and Vapor Diffusion Coefficients. , 1963 .

[10]  R. Eslamloueyan,et al.  Using Artificial Neural Networks for Estimation of Thermal Conductivity of Binary Gaseous Mixtures , 2009 .

[11]  J. Giddings,et al.  A Comparison of Methods for Predicting Gaseous Diffusion Coefficients , 1965 .

[12]  J. Liner,et al.  Determination of the Temperature Dependence of Gaseous Diffusion Coefficients Using Gas Chromatographic Apparatus , 1972 .

[13]  J. Giddings,et al.  Diffusion of halogenated hydrocarbons in helium. The effect of structure on collision cross sections , 1969 .

[14]  C. F. Curtiss,et al.  Molecular Theory Of Gases And Liquids , 1954 .

[15]  Ting-chia Huang,et al.  Measurements of diffusion coefficients by the method of gas chromatography , 1972 .

[16]  R. Byron Bird,et al.  Calculation of the diffusion coefficient of dilute gases and of the self‐diffusion coefficient of dense gases , 1958 .

[17]  J. Calvin Giddings,et al.  AN EXPANDING ROLE FOR GAS CHROMATOGRAPHY: MEASUREMENT OF PHYSICAL AND CHEMICAL PARAMETERS , 1967 .

[18]  E. Marwil,et al.  Convergence Results for Schubert’s Method for Solving Sparse Nonlinear Equations , 1979 .

[19]  J. Purnell,et al.  64. Diffusional band spreading in gas-chromatographic columns. Part I. The elution of unsorbed gases , 1961 .

[20]  E. Grushka,et al.  Measurement of diffusion coefficients of octane isomers by the chromatographic broadening method , 1973 .

[21]  W. E. Stewart,et al.  Binary diffusion coefficients of low-density gases. I. Measurements by modified Loschmidt method , 1974 .

[22]  D. Marquardt An Algorithm for Least-Squares Estimation of Nonlinear Parameters , 1963 .

[23]  J. Hirschfelder,et al.  The transport properties of gases and gaseous mixtures. , 1949, Chemical reviews.

[24]  Mohammad Bagher Menhaj,et al.  Training feedforward networks with the Marquardt algorithm , 1994, IEEE Trans. Neural Networks.

[25]  E. Gilliland Diffusion Coefficients in Gaseous Systems , 1934 .

[26]  R. A. Aziz,et al.  Empirical Equations to Calculate 16 of the Transport Collision Integrals Ω(l, s)* for the Lennard‐Jones (12–6) Potential , 1972 .

[27]  R. Kobayashi,et al.  Measurements of gaseous diffusion coefficients for dilute and moderately dense gases by perturbation chromatography , 1970 .

[28]  Determination of gaseous interdiffusion coefficients for solute vapor-carrier gas pairs , 1967 .

[29]  R. Reid,et al.  The Properties of Gases and Liquids , 1977 .

[30]  Gregory W. Kauffman,et al.  Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships , 2001, J. Chem. Inf. Comput. Sci..

[31]  J. Knox,et al.  The Spreading of Air Peaks in Capillary and Packed Gas Chromatographic Columns. , 1963 .

[32]  James M. Miller Dynamics of Chromatography , 1966 .

[33]  K. H. Karmarkar,et al.  The use of an electrodeless discharge as a detector in gas chromatography , 1967 .

[34]  J. Arnold Studies in Diffusion , 1930 .

[35]  J. Giddings,et al.  Method for the Rapid Determination of Diffusion Coefficients. Theory and Application , 1962 .

[36]  G. Karaiskakis,et al.  Determination of diffusion coefficients by gas chromatography. , 2004, Journal of chromatography. A.

[37]  I. Nagata,et al.  GASEOUS INTERDIFFUSION COEFFICIENTS , 1970 .

[38]  E. Grushka,et al.  Measurements of Gaseous Diffusion Coefficients by Gas Chromatography. , 1972 .

[39]  R. Brokaw Predicting transport properties of dilute gases. , 1969 .

[40]  Edward L Cussler,et al.  Diffusion: Mass Transfer in Fluid Systems , 1984 .

[41]  J. Giddings,et al.  Rapid Determination of Gaseous Diffusion Coefficients by Means of Gas Chromatography Apparatus , 1960 .