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Basic Electrolyte Thermodynamics
  Introduction to OLI Electrolytes A white paper summarizing OLI's thermodynamic framework
  Meet OLI Company description sheet of OLI Systems

Mixed-Solvent Electrolyte Thermodynamics

 

P. Wang and A. Anderko, “Computation of Dielectric Constants of Solvent Mixtures and Electrolyte Solutions”, Fluid Phase Equilibria, 186 (2001) 103-122.

P. Wang, R.D. Springer, A. Anderko and R.D. Young, “Modeling Phase Equilibria and Speciation in Mixed-Solvent Electrolyte Systems", Fluid Phase Equilibria, 222-223 (2004) 11-17.

A. Anderko, P. Wang and M. Rafal, “Electrolyte Solutions: From Thermodynamic and Transport Property Models to the Simulation of Industrial Processes”, Fluid Phase Equilibria, 194-197 (2002) 123-142.

P. Wang, A. Anderko and R.D. Young, “A Speciation-Based Model for Mixed-Solvent Electrolyte Systems”, Fluid Phase Equilibria, 203 (2002) 141-176.

P. Kolar, H. Nakata, A. Tsuboi, P.Wang and A. Anderko, "Measurement and Modeling of Vapor-Liquid Equilibria at High Salt Concentrations", Fluid Phase Equilibria 228-229 (2005) 493-497.

P. Wang, A. Anderko, R.D. Springer and R.D. Young, "Modeling Phase Equilibria and Speciation in Mixed-Solvent Electrolyte Systems. II.  Liquid-Liquid Equilibria and Properties of Associated Electrolyte Solutions", J. Molecular Liquids 125 (2006) 37-44. 

J.J. Kosinski , P. Wang , R.D. Springer and A. Anderko, “Modeling Acid-Base Equilibria and Phase Behavior in Mixed-Solvent Electrolyte Systems”, Fluid Phase Equilibria, 256 (2007) 34-41 .

M.S. Gruszkiewicz, D.A. Palmer, R.D. Springer, P. Wang and A. Anderko, “Phase Behavior of Aqueous Na – K – Mg – Ca – Cl – NO3 Mixtures: Isopiestic Measurements and Thermodynamic Modeling”, J. Solution Chem., 36 (2007) 723-765.

P. Wang , A. Anderko, R. D. Springer, J. J. Kosinski, and M.M. Lencka, “Modeling Chemical and Phase Equilibria in Geochemical Systems Using a Speciation-Based Model”, J. Geochemical Exploration, 106 (2010) 219-225.

P. Wang and A. Anderko, “Modeling Chemical Equilibria, Phase Behavior, and Transport Properties in Ionic Liquid Systems”, Fluid Phase Equilibria, 302 (2011) 74-82.

R.D. Springer, Z. Wang, A. Anderko, P. Wang, and A.R. Felmy, “A Thermodynamic Model for Predicting Mineral Reactivity in Supercritical Carbon Dioxide: I. Phase Behavior of Carbon Dioxide – Water – Chloride Salt Systems Across the H2O-Rich to the CO2-Rich Regions”, Chemical Geology, 322-323 (2012) 151-171.

P. Wang , J.J. Kosinski, M. M. Lencka, A. Anderko, and R.D. Springer, “Thermodynamic Modeling of Boric Acid and Selected Metal Borate Systems”, Pure & Applied Chemistry, 85 (2013) 2117-2144.

V. Choudhary, S. Mushrif, C. Ho, A. Anderko, V. Nikolakis, N. Marinkovic, A. Frenkel, S. I. Sandler, and D. G. Vlachos, “Insights into the Interplay of Lewis and Brønsted Acid Catalysts in Glucose and Fructose Conversion to 5-(Hydroxymethyl)furfural and Levulinic Acid  in Aqueous Media”, J. Am. Chem. Soc., 135 (2013) 3997-4006.

P. Wang, J.J. Kosinski, A. Anderko, R.D. Springer, M.M. Lencka, J. Liu, “Ethylene Glycol and Its Mixtures with Water and Electrolytes: Thermodynamic and Transport Properties”, Ind. Eng. Chem. Res., 52 (2013) 15968-15987.

Transport Properties and Surface Phenomena

 

A. Anderko and M. M. Lencka, “Computation of electrical conductivity of multicomponent aqueous systems in wide concentration and temperature ranges”, Ind. Eng. Chem. Res., 36 (1997) 1932-1943.

M. M. Lencka, A. Anderko, S. J. Sanders and R.D. Young, “Modeling viscosity of multicomponent electrolyte solutions”, Int. J. Thermophysics, 19 (1998) 367-378.

A. Anderko and M. M. Lencka, “Modeling self-diffusion in multicomponent aqueous solutions in wide concentration ranges”, Ind. Eng. Chem. Res., 37 (1998) 2878-2888.

A. Anderko and M. M. Lencka, “Modeling transport properties of electrolyte solutions in wide concentration and temperature ranges”, Power Plant Chemistry, 2(9) (2000) 523-528.

P. Wang and A. Anderko, “Modeling Self-Diffusion in Mixed-Solvent Electrolyte Solutions”, Ind. Eng. Chem. Res., 42 (2003) 3495-3504.

H. Corti, L. Trevani and A. Anderko, “Transport Properties in High-Temperature and High-Pressure Aqueous Solutions”, Chapter 10 in “Aqueous Systems at Elevated Temperatures and Pressures: Physical Chemistry in Water, Steam and Hydrothermal Solutions", edited by D. A. Palmer, R. Fernandez-Prini and A. H. Harvey, Academic Press (2004).

P. Wang, A. Anderko and R.D. Young, “Modeling Electrical Conductivity of Concentrated and Mixed-Solvent Electrolyte Systems”, Ind. Eng. Chem. Res., 43 (2004) 8083-8092.

P. Wang, A. Anderko and R.D. Young, “Modeling Viscosity of Concentrated and Mixed-Solvent Electrolyte Systems”, Fluid Phase Equilibria, 226 (2004) 71-82.

P. Wang and A. Anderko, “Modeling Thermal Conductivity of Concentrated and Mixed-Solvent Electrolyte Systems”, Ind. Eng. Chem. Res., 47 (2008) 5698-5709.

P. Wang, A. Anderko and R.D. Young, " Modeling Surface Tension of Concentrated and Mixed-Solvent Electrolyte Systems", Ind. Eng. Chem. Res., 50 (2011) 4086-4098.

P. Wang and A. Anderko, "Modeling Thermal Conductivity of Electrolyte Mixtures in Wide Temperature and Pressure Ranges: Seawater and Its Main Components", Int. J. Thermophysics, 33 (2012) 235-258.

P. Wang and A. Anderko, “Modeling interfacial tension in liquid-liquid systems containing electrolytes”, Ind. Eng. Chem. Res., 52 (2013) 6822-6840.

Ceramic Synthesis                 

  M.M. Lencka and R.E. Riman, "Intelligent Synthesis of Smart Ceramic Materials", Encyclopedia of Smart Materials, Vol 1, Chapter 10, M. Schwartz (Editor), Wiley & Sons, New York, March 2002.

M.M. Lencka, E. Nielsen, A.Anderko and R.E. Riman, "Hydrothermal Synthesis of Carbonate-Free Strontium Zirconate:  Thermodynamic Modeling and Experimental Verification", Chem. Materials, 9 (1997) 116-1125.

M.M. Lencka, M. Oledzka and R.E. Riman, "Hydrothermal Synthesis of Sodium and Potassium Bismuth Titanates", Chem. Materials, 12 (2000) 1323-1330.

M. Oledzka, M.M. Lencka, P. Pinceloup, K. Mikulka-Bolen, L.E. McCandlish and R.E. Riman, "Influence of Precursor on Microstructure and Phase Composition of Epitaxial Hydrothermal PbZr0.7Ti0.3O3 Films", Chem. Materials, 15 (2003) 1090-1095.  

B. Gersten, M.M. Lencka and R.E. Riman, "Engineered Low Temperature Hydrothermal Synthesis of Phase-Pure Lead-Based Perovskites Using Ethylenediamine Tetra-acetic Acid Complexation", Chem Materials, 14 (2002) 1950-1960.

R.E. Riman, W.L. Suchanek, and MM Lencka, "Hydrothermal Crystallization of Ceramics", Chem Materials, 27 (6) (2003) 15-36.

Reviews of corrosion modeling                

  A. Anderko, "Modeling of Aqueous Corrosion", in Volume 2, chapter 2.38 of Shreir’s Corrosion, 4th edition, edited by R.A. Cottis, M. Graham, R. Lidsay, S.B. Lyon, T.J.A. Richardson, J.D. Scantlebury, and H.Stott, Elsevier, Amsterdam, (2010), pp. 1585-1629.

D.D. Macdonald and G.R. Engelhardt, "Predictive Modeling of Corrosion", in Volume 2, chapter 2.39 of Shreir’s Corrosion, 4th edition, edited by R.A. Cottis, M. Graham, R. Lidsay, S.B. Lyon, T.J.A. Richardson, J.D. Scantlebury, and H.Stott, Elsevier, Amsterdam, (2010), pp. 1630-1679.

Thermodynamics of corrosion

  A. Anderko, S. J. Sanders and R.D. Young, “Real-solution stability diagrams: A thermodynamic tool for corrosion modeling”, Corrosion, 53 (1997) 43-53.

A. Anderko and P. J. Shuler, “A computational approach to predicting the formation of iron sulfide species using stability diagrams”, Computers & Geosciences, 23 (1997) 647-658.

N. Sridhar, D.S. Dunn, A. Anderko, M.M. Lencka and H.U. Schutt, "Effect of Water and Gas Composition on the Internal Corrosion of Gas Pipelines - Modeling and Experimental Studies", Corrosion, 57 (2001) 221-235.

P. Wang, L.L. Wilson, D.J. Wesolowski, J. Rosenqvist, and A. Anderko, “Solution Chemistry of MoIII and MoIV: Thermodynamic Foundation for Modeling Localized Corrosion”, Corrosion Science, 52 (2010) 1625-1634.

General corrosion

 

A. Anderko and R.D. Young, “A model for corrosion of carbon steel in lithium bromide absorption refrigeration systems”, Corrosion, 56 (2000) 543-555.

A. Anderko, P. McKenzie and R.D. Young, “Computation of rates of general corrosion using electrochemical and thermodynamic models”, Corrosion, 57 (2001) 202-213.

A. Anderko and R.D. Young, “Simulation of CO2/H2S Corrosion Using Thermodynamic and Electrochemical Models”, paper no. 31, CORROSION/99, San Antonio, TX, April 25-30, 1999.

A. Anderko, “Simulation of FeCO3 / FeS Scale Formation Using Thermodynamic and Electrochemical Models”, paper no. 102, CORROSION/2000, Orlando, FL, March 27-31, 2000.

A. Anderko and R. D. Young, “A Model for Calculating the Rates of General Corrosion of Carbon Steel and 13%Cr Stainless Steels in CO2/H2S Environments”, paper no. 1086, CORROSION/2001, Houston, Texas, March 11-16, 2001

N. Sridhar and A. Anderko, “Corrosion Simulation for the Process Industry”, paper no. 1348, CORROSION/2001, Houston, Texas, March 11-16, 2001.

Localized corrosion

  G. Engelhardt and D. D. Macdonald, “Unification of the Deterministic and Statistical Approaches for Predicting Localized Corrosion Damage. I. Theoretical Foundation”, Corrosion Science, 46 (2004) 2755-2780.

N. Sridhar, C. S. Brossia, D.S. Dunn and A. Anderko, “Predicting Localized Corrosion in Seawater”, Corrosion, 60 (2004) 915-936.

A. Anderko, N. Sridhar and D.S. Dunn, “A General Model for the Repassivation Potential as a Function of Multiple Aqueous Solution Species”, Corrosion Science, 46 (2004) 1583-1612.

G. Engelhardt and D. D. Macdonald, “Estimation of Corrosion Cavity Growth Rate for Predicting System Service Life”, Corrosion Science, 46 (2004) 1159-1187.

A. Anderko, N. Sridhar, D.S. Dunn and C. S. Brossia, “A Computational Approach to Predicting the Occurrence of Localized Corrosion in Multicomponent Aqueous Solutions”, paper no. 04061, Corrosion/2004, New Orleans, LA, March 28 - April 1, 2004.

A. Anderko, N. Sridhar and C. S. Brossia, “Prediction of Corrosion of Nickel-Base Alloys and Stainless Steels in Oxidizing Environments Using Thermodynamic and Electrochemical Models”, Paper No. 05053, Corrosion (2005) Houston, TX, April 3-7, 2005.

A. Anderko, N. Sridhar, L. T. Yang, S. L. Grise, B. J. Saldanha and M. H. Dorsey, “Validation of a Localized Corrosion Model Using Real-Time Corrosion Monitoring in a Chemical Plant", Corrosion Eng. Sci. Tech., 40 (2005) 33-42.

G. Engelhardt, D.D. Macdonald, Y. Zhang and B. Dooley, "Deterministic Prediction of Corrosion Damage in Low Pressure Steam Turbines", Power Plant Chemistry, 6 (2004) 647-661.

G. Tormoen, N. Sridhar , and A. Anderko, “Localised Corrosion of Heat-Treated Alloys. I. Repassivation Potential of Alloy 600 as a Function of Solution Chemistry and Thermal Aging”, Corrosion Eng. Sci. Tech., 45 (2010) 155-162.

A. Anderko, N. Sridhar, M.A. Jakab, and G. Tormoen, “A General Model for the Repassivation Potential as a Function of Multiple Aqueous Species. 2. Effect of Oxyanions on Localized Corrosion of Fe-Ni-Cr-Mo-W-N Alloys”, Corrosion Science, 50 (2008) 3629-3647

M.A. Jakab, N. Sridhar and A. Anderko, “Localized Corrosion Susceptibility of Cu-Ni Alloys in Chloride Containing Environments”,  paper no. 07243, CORROSION/2007, NACE International, Houston , TX , 2007.

A. Anderko, N. Sridhar , G. Tormoen, “Prediction of the Effect of Heat Treatment on the Susceptibility of Fe-Ni-Cr-Mo Alloys to Localized Corrosion”, 17th International Corrosion Congress, Las Vegas, NV, October 6-10, 2008.

N. Sridhar, G. Tormoen, S. Hackney, and A. Anderko, “Effect of Aging Treatments on the Repassivation Potential of Duplex Stainless Steel S32205”, Corrosion, 65 (2009) 650-662.

A. Anderko, N. Sridhar, and G. Tormoen, “Localized Corrosion of Heat-Treated Alloys. II. Predicting Grain Boundary Microchemistry and Its Effect on Repassivation Potential”, Corrosion Eng. Sci. Tech., 45 (2010) 204-223.

A. Anderko, F. Gui, L. Cao, and N. Sridhar, “Modeling Localized Corrosion of Corrosion-Resistant Alloys in Oil and Gas Production Environments”, CORROSION/2014, paper no. C2014-3744, San Antonio, TX, March 9-13, 2014.


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