A computational intelligence scheme for prediction of interfacial tension between pure hydrocarbons and water

Abstract Interfacial tension plays a major role in many disciplines of science and engineering. Complex nature of this property has restricted most of the previous theoretical studies on thermophysical properties to bulk properties measured far from the interface. Considering the drawbacks and deficiencies of preexisting models, there is yet a huge interest in accurate determination of this property using a rather simple and more comprehensive modeling approach. In recent years, inductive machine learning algorithms have widely been applied in solving a variety of engineering problems. This study introduces least-square support vector machines (LS-SVM) approach as a viable and powerful tool for predicting the interfacial tension between pure hydrocarbon and water. Comparing the model to experimental data, an excellent agreement was observed yielding the overall squared correlation coefficient (R2) of 0.993. Proposed model was also found to outperform when compared to some previously presented multiple regression models. An outlier detection method was also introduced to determine the model applicability domain and diagnose the outliers in the gathered dataset. Results of this study indicate that the model can be applied in systems over temperature ranges of 454.40–890 °R and pressure ranges of 0.1–300 MPa.

[1]  Andrzej Anderko,et al.  Modeling Interfacial Tension in Liquid–Liquid Systems Containing Electrolytes , 2013 .

[2]  K. Vasanth Kumar,et al.  Neural Network Prediction of Interfacial Tension at Crystal/Solution Interface , 2009 .

[3]  G. W. Paul,et al.  Correlation of Interfacial Free Energy in Binary and Ternary Systems , 1969 .

[4]  H. Kobayashi,et al.  Surface chemical effect of adsorbed water on quartz , 1970 .

[5]  Ralph S. Valentine,et al.  Interfacial Tension in Multicomponent Aqueous - Organic Systems. , 1963 .

[6]  Babak Rezaee,et al.  Application of adaptive neuro-fuzzy inference system for solubility prediction of carbon dioxide in polymers , 2009, Expert Syst. Appl..

[7]  Alireza Bahadori,et al.  A developed smart technique to predict minimum miscible pressure—eor implications , 2013 .

[8]  Kegang Ling,et al.  A New Correlation to Calculate Oil-Water Interfacial Tension , 2012 .

[9]  Ali Elkamel,et al.  Reservoir permeability prediction by neural networks combined with hybrid genetic algorithm and particle swarm optimization , 2013 .

[10]  Lee O. Case,et al.  The Surface Tension of Mercury and of Water in Contact with Saturated Vapors of Organic Liquids1 , 1933 .

[11]  H. Y. Jennings,et al.  The Effect of Temperature and Pressure on the Interfacial Tension of Water Against Methane-Normal Decane Mixtures , 1971 .

[12]  Malcolm N. Jones,et al.  Interfacial tension studies at the aqueous urea-n-decane and aqueous urea + surfactant-n-decane interfaces , 1973 .

[13]  H. Yarranton,et al.  Investigation of Asphaltene Association with Vapor Pressure Osmometry and Interfacial Tension Measurements , 2000 .

[14]  W E ROSE,et al.  The interfacial tension of some hydrocarbons against water. , 1951, The Journal of physical and colloid chemistry.

[15]  E. Roger Washburn,et al.  The Direct Measurement of the Spreading Pressures of Volatile Organic Liquids on Water , 1942 .

[16]  Robert E. Treybal,et al.  Interfacial tensions of binary and ternary two‐phase liquid systems , 1966 .

[17]  Guangjin Chen,et al.  Interfacial Tension of Methane + Water with Surfactant near the Hydrate Formation Conditions , 2004 .

[18]  Khalil Kashefi,et al.  Measurement and modelling of interfacial tension and viscosity of reservoir fluids , 2012 .

[19]  Paola Gramatica,et al.  Principles of QSAR models validation: internal and external , 2007 .

[20]  William D. Harkins,et al.  THE SURFACE TENSION AT THE INTERFACE BETWEEN TWO LIQUIDS, AND THE EFFECT OF ACIDS, SALTS AND BASES UPON THE INTERFACIAL TENSION. (SURFACE TENSION III.) , 1916 .

[21]  Farhad Gharagheizi,et al.  Gas Hydrate Phase Equilibrium in Porous Media: Mathematical Modeling and Correlation , 2012 .

[22]  Colin R. Goodall,et al.  13 Computation using the QR decomposition , 1993, Computational Statistics.

[23]  L. Girifalco,et al.  A Theory for the Estimation of Surface and Interfacial Energies. I. Derivation and Application to Interfacial Tension , 1957 .

[24]  A. Bahadori,et al.  Prediction of the aqueous solubility of BaSO4 using pitzer ion interaction model and LSSVM algorithm , 2014 .

[25]  D. Donahue,et al.  The Boundary Tension at Water-Organic Liquid Interfaces , 1952 .

[26]  M. Aratono,et al.  Thermodynamic study on the adsorption of sodium chloride at the water/hexane interface , 1992 .

[27]  M. Schlossman,et al.  Noncapillary-wave structure at the water-alkane interface. , 2000, Physical review letters.

[28]  Ali Naseri,et al.  Reservoir oil viscosity determination using a rigorous approach , 2014 .

[29]  A S MICHAELS,et al.  Interfacial tension at elevated pressure and temperature. II Interfacial properties of hydrocarbon-water systems. , 1951, The Journal of physical and colloid chemistry.

[30]  Johan A. K. Suykens,et al.  Coupled Simulated Annealing , 2010, IEEE Transactions on Systems, Man, and Cybernetics, Part B (Cybernetics).

[31]  E Bender,et al.  Interfacial tensions in binary and ternary liquid—liquid systems , 1990 .

[32]  Frederick M. Fowkes,et al.  ADDITIVITY OF INTERMOLECULAR FORCES AT INTERFACES. I. DETERMINATION OF THE CONTRIBUTION TO SURFACE AND INTERFACIAL TENSIONS OF DISPERSION FORCES IN VARIOUS LIQUIDS1 , 1963 .

[33]  Johan A. K. Suykens,et al.  Least Squares Support Vector Machine Classifiers , 1999, Neural Processing Letters.

[34]  A. Danesh.  PVT and Phase Behaviour of Petroleum Reservoir Fluids , 1998 .

[35]  George L. Clark,et al.  THE ORIENTATION OF MOLECULES IN SURFACES, SURFACE ENERGY, ADSORPTION, AND SURFACE CATALYSIS. V. THE ADHESIONAL WORK BETWEEN ORGANIC LIQUIDS AND WATER.1 , 1920 .

[36]  Alireza Bahadori,et al.  Implementing radial basis function networks for modeling CO2-reservoir oil minimum miscibility pressure , 2013 .

[37]  Cupples Hl.  Interfacial tension by the ring method the benzene-water interface. , 1947 .

[38]  Amin Shokrollahi,et al.  Evolving an accurate model based on machine learning approach for prediction of dew-point pressure in gas condensate reservoirs , 2014 .

[39]  Yasuhiko H. Mori,et al.  Surface and interfacial tensions and their combined properties in seven binary, immiscible liquid-liquid-vapor systems , 1984 .

[40]  R. H. Dettre,et al.  The wettability of low-energy liquid surfaces , 1966 .

[41]  N. Metropolis,et al.  Equation of State Calculations by Fast Computing Machines , 1953, Resonance.

[42]  Farhad Gharagheizi,et al.  Toward a predictive model for estimating dew point pressure in gas condensate systems , 2013 .

[43]  R. P. Sutton.  An Improved Model for Water-Hydrocarbon Surface Tension at Reservoir Conditions , 2009 .

[44]  David Needham,et al.  Equilibrium and Dynamic Interfacial Tension Measurements at Microscopic Interfaces Using a Micropipet Technique. 1. A New Method for Determination of Interfacial Tension , 2001 .

[45]  T. Guo,et al.  Interfacial Tension of Hydrocarbon + Water/Brine Systems under High Pressure , 1996 .

[46]  Nello Cristianini,et al.  An Introduction to Support Vector Machines and Other Kernel-based Learning Methods , 2000 .

[47]  A. Elkamel,et al.  Utilization of support vector machine to calculate gas compressibility factor , 2013 .

[48]  Erling Halfdan Stenby,et al.  Calculation of Interfacial Tensions of Hydrocarbon-water Systems under Reservoir Conditions , 1998 .

[49]  Ali Danesh,et al.  Prediction of liquid-liquid interfacial tension in multi-component systems , 2004 .

[50]  Sydney Ross,et al.  The pendent-drop method to determine surface or interfacial tensions , 1979 .

[51]  C. D. Gelatt,et al.  Optimization by Simulated Annealing , 1983, Science.

[52]  Wei-dong Yan,et al.  Interfacial Tension of (CO2 + CH4) + Water from 298 K to 373 K and Pressures up to 30 MPa , 2000 .

[53]  H L CUPPLES.  Interfacial tension by the ring method the benzene-water interface. , 1947, The Journal of physical and colloid chemistry.

[54]  Wiesław Wójcik,et al.  Determination of the Components of the Surface Tension of Some Liquids from Interfacial Liquid-Liquid Tension Measurements , 1993 .

[55]  Wang Zi-hao,et al.  Estimation of fluid-fluid interfacial tensions of multicomponent mixtures , 1986 .

[56]  Susana Zeppieri,et al.  Interfacial Tension of Alkane + Water Systems† , 2001 .

[57]  Farhad Gharagheizi,et al.  Assessment test of sulfur content of gases , 2013 .

[58]  Farhad Gharagheizi,et al.  Intelligent model for prediction of CO2 – Reservoir oil minimum miscibility pressure , 2013 .

[59]  Mihaela Olteanu,et al.  Interfacial tension measurement by the rotating meniscus , 2000 .

[60]  Bernhard Schölkopf,et al.  A tutorial on support vector regression , 2004, Stat. Comput..

[61]  Amir Badakshan,et al.  The Influence Of Temperature And Surfactant Concentration On Interfacial Tension Of Saline Water And Hydrocarbon Systems In Relation To Enhanced Oil Recovery By Chemical Flooding , 1990 .

[62]  Alireza Bahadori,et al.  Predicting Water-Hydrocarbon Systems Mutual Solubility , 2008 .

[63]  Abhijit Yeshwant Dandekar.  Interfacial tension and viscosity of reservoir fluids , 1994 .

[64]  Payam Setoodeh,et al.  Artificial Neural Network Modeling of Surface Tension for Pure Organic Compounds , 2012 .

[65]  A. Goebel,et al.  Interfacial Tension of the Water/n-Alkane Interface , 1997 .

[66]  G. A. Mansoori,et al.  Theory for interfacial tension of partially miscible liquids , 1991, 1801.03415.

[67]  Fi-John Chang,et al.  Adaptive neuro-fuzzy inference system for prediction of water level in reservoir , 2006 .

[68]  L. E. Scriven,et al.  Laser light-scattering measurements of interfacial tension using optical heterodyne mixing spectroscopy , 1984 .

[69]  Alberto Passerone,et al.  Equilibrium Interfacial Tension of Hexane/Water plus Triton X-100 , 1995 .

[70]  E. Franck,et al.  Interfacial tension between water and non-polar fluids up to 473 K and 2800 bar , 1994 .

[71]  D. Jones,et al.  An experimental test of the validity of Antonow's rule , 1934 .

[72]  Judith C. Duncan,et al.  Temperature-interfacial tension studies of some 1-alkenes against water , 1967 .

[73]  R. F. Nielsen,et al.  Effect of Pressure and Temperature on Oil-Water Interfacial Tensions for a Series of Hydrocarbons , 1953 .

[74]  R. Aveyard,et al.  Thermodynamic properties of aliphatic hydrocarbon/water interfaces , 1965 .

[75]  Werner Sachs,et al.  Pressure and temperature dependence of the surface tension in the system natural gas/water. Principles of investigation and the first precise experimental data for pure methane/water at 25°C up to 46.8 MPa , 1995 .

[76]  H. J. Ramey,et al.  Surface Tension Of Water-Hydrocarbon Systems At Reservoir Conditions , 1988 .

[77]  Johan A. K. Suykens,et al.  LS-SVMlab : a MATLAB / C toolbox for Least Squares Support Vector Machines , 2007 .

[78]  Nasser Rashidnia,et al.  Interfacial tension measurement of immiscible liquids using a capillary tube , 1992 .

[79]  E. W. Hough,et al.  Interfacial Tensions at Reservoir Pressures and Temperatures; Apparatus and the Water-Methane System , 1951 .

[80]  Diane J. Burgess,et al.  Prediction of Interfacial Tension between Oil Mixtures and Water , 2001 .

[81]  E. Roger Washburn,et al.  Spreading of Hydrocarbons and Related Compounds on Water , 1954 .

[82]  C. Werth,et al.  Estimation of interfacial tension between organic liquid mixtures and water. , 2009, Environmental science & technology.

[83]  A. Demond,et al.  Estimation of interfacial tension between organic liquids and water , 1993 .

[84]  J. D. Miller,et al.  Spreading kinetics for low viscosity n-alkanes on a water surface as recorded by the high-speed video system , 2003 .

[85]  Ali Eslamimanesh,et al.  Solubility Parameters of Nonelectrolyte Organic Compounds: Determination Using Quantitative Structure—Property Relationship Strategy , 2011 .

[86]  M. Aratono,et al.  Thermodynamic studies on adsorption at interfaces. VI: Interface between cyclohexane-benzene mixture and water , 1988 .

[87]  A. Elkamel,et al.  The Influence of Temperature, Pressure, Salinity, and Surfactant Concentration on the Interfacial Tension of the N-Octane-Water System , 2005 .

[88]  Farhad Gharagheizi,et al.  A novel method for evaluation of asphaltene precipitation titration data , 2012 .

[89]  Alireza Bahadori,et al.  A novel correlation for estimation of hydrate forming condition of natural gases , 2009 .

[90]  Amin Shokrollahi,et al.  Evolving artificial neural network and imperialist competitive algorithm for prediction oil flow rate of the reservoir , 2013, Appl. Soft Comput..

[91]  H. Kahl,et al.  Surface Tension and Interfacial Tension of Binary Organic Liquid Mixtures , 2003 .

[92]  Ryohei Matuura,et al.  Thermodynamic consideration of the pressure dependence of interfacial tension , 1983 .

[93]  Eva Tornberg,et al.  A surface tension apparatus according to the drop volume principle , 1977 .

[94]  Joseph J. Jasper,et al.  The Temperature-Interfacial Tension Studies of Some Alkylbenzenes Against Water , 1959 .

[95]  Haifeng Wang,et al.  Comparison of SVM and LS-SVM for Regression , 2005, 2005 International Conference on Neural Networks and Brain.

[96]  V. Fabian.  Simulated annealing simulated , 1997 .

[97]  Farhad Gharagheizi,et al.  Toward an intelligent approach for determination of saturation pressure of crude oil , 2013 .

[98]  J. Águila-Hernández,et al.  Interfacial Tension and Density of Water + Branched Hydrocarbon Binary Systems in the Range 303−343 K , 2009 .