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Validating OLI’s Chemistry Predictions

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At OLI, we understand that confidence in our electrolyte thermodynamics software is paramount. This article outlines the technical resources and collaborative research efforts that underpin our state-of-the-art chemistry predictions. Our validation process is built on rigorous modeling, peer-reviewed research, and strategic partnerships—all designed to reinforce your trust in our software across diverse industries.

Table of Contents

Journal Publications

Collaborative Research and Partnerships

Technical Resources

Case Studies: Industry Impact

Companies Trusting OLI’s Solutions

Journal Publications

Our research team has authored and co-authored many peer-reviewed journal publications with theories and findings that underscore the software’s predictions.

Selected publications include: 

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, A. Anderko and R.D. Young, “A Speciation-Based Model for Mixed-Solvent Electrolyte Systems” Fluid Phase Equilibria, 203 (2002) 141-176.
  • 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 associating electrolyte solutions” J. Molec. Liquids, 125 (2006) 37-44.
  • 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.
  • M.M. Lencka, J.J. Kosinski, P. Wang, and A. Anderko, “Thermodynamic modeling of aqueous systems containing amines and amine hydrochlorides: Application to methylamine, morpholine, and morpholine derivatives,” Fluid Phase Equilibria, 418 (2016) 160-174.
  • R.D. Springer, P. Wang, and A. Anderko, “Modeling the Properties of H2S/CO2/Salt/Water Systems in Wide Ranges of Temperature and Pressure”, SPE Journal, 20 (2015) 1120-1134.
  • P. Wang, A. Anderko, J.J. Kosinski, R.D. Springer, and M.M. Lencka, “Modeling Speciation and Solubility in Aqueous Systems Containing U(IV, VI), Np(IV, V, VI), Pu(III, IV, V, VI), Am(III), and Cm(III) in Wide Concentration Ranges,” J. Solution Chem., 46 (2017) 521-588.
  • B.H. Morland, A. Tadesse, G. Svenningsen, R.D. Springer, and A. Anderko, “Nitric and Sulfuric Acid Solubility in Dense Phase CO2 ,“ Ind. Eng. Chem. Res., 58 (2019) 22924-22933.
  • P. Wang, A. Anderko, and P. Tremaine, “Speciation and phase equilibria of aqueous boric acid and alkali metal borates from ambient to hydrothermal conditions: a comprehensive thermodynamic model,” Ind. Eng. Chem. Res., 62 (2023) 20875–20898.

Corrosion

  • 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.
  • N. Sridhar, C.S. Brossia, D.S. Dunn and A. Anderko, “Predicting Localized Corrosion in Seawater” Corrosion, 60 (2004) 915-936.
  • 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. Lindsay, S.B. Lyon, T.J.A. Richardson, J.D. Scantlebury, and H. Stott, Elsevier, Amsterdam (2010), pp. 1585-1629.
  • A. Anderko, F. Gui, L. Cao, N. Sridhar, and G.R. Engelhardt, “Modeling Localized Corrosion of Corrosion‐Resistant Alloys in Oil and Gas Production Environments: I. Repassivation Potential,” Corrosion, 71 (2015) 1197-1212.
  • L. Cao, A. Anderko, F. Gui, and N. Sridhar, “Localized Corrosion of Corrosion Resistant Alloys in H2S Containing Environments,” Corrosion, 72 (2016) 636-654.
  • A. Anderko, L. Cao, F. Gui, N. Sridhar, and G.R. Engelhardt, “Localized Corrosion of Corrosion‐Resistant Alloys in Oil and Gas Production Environments: II. Corrosion Potential,” Corrosion, 73 (2017) 634-647.
  • N. Sridhar and A. Anderko, “Electrolyte Based Modeling of Corrosion Processes in Sulfuric Acid Mixtures – Part 1: Non-Oxidizing Conditions,” Corrosion, 77 (2021) 935-948.
  • G. Sundararajan, D. Ballal, A. Anderko, S. Gururaj, and T. Bos, “Improved Test Methods and Localized Corrosion Models for Assessment of Stainless Steels in Aqueous Chloride Media with Low Dissolved Oxygen,” Corrosion, 80 (2024) 217-240.

Critical Materials Simulation

  • G. Das, M. M. Lencka, A. Eslamimanesh, P. Wang, A. Anderko,  R.E. Riman, and A. Navrotsky, “Rare earth sulfates in aqueous systems: Thermodynamic modeling of binary and multicomponent systems over wide concentration and temperature ranges,” J. Chem. Thermodynamics, 131 (2019) 49-79.
  • Y. Fujita, M. Walton, G. Das, A. Dohnalkova, G. Vanzin, and A. Anderko, “Impacts of anthropogenic gadolinium on the activity of the ammonia oxidizing bacterium Nitrosomonas europaea,” Chemosphere, 257 (2020) 127250.
  • T.E. Lister, M. Meagher, M.L. Strauss, L.A. Diaz, H.W. Rollins, G. Das, M.M. Lencka, A. Anderko, R.E. Riman, and A. Navrotsky, “Recovery of Rare Earth Elements from Recycled Hard Disk Drive Mixed Steel and Magnet Scrap,” chapter 15 in Rare Metal Technology 2021, edited by G. Azimi, T. Oishi, K.M.M. Forsberg, H. Kim, S. Alam, A.A. Baba, and N.R. Neelameggham, The Minerals, Metals & Materials Series, Springer (2021), pp. 139-154.
  • G. Das, M.M. Lencka, J. Liu, A. Anderko, R.E. Riman, and A. Navrotsky, “Modeling phase equilibria and speciation in aqueous solutions of rare earth elements with hydroxide and organic ligands,” J. Chem. Thermodynamics, 186 (2023) 107125.
  • M. Alipanah, H. Jin, Q. Zhou, C. Barboza, D. Gazzo, V. Thompson, Y. Fujita, J. Liu, A. Anderko, and D. Reed, “Sustainable Bioleaching of Lithium-ion Batteries for Critical Materials Recovery: Process Optimization through Design of Experiments and Thermodynamic Modeling,” Resources, Conservation & Recycling, 199 (2023) 107293.
  • J.R. Klaehn, M. Shi, L.A. Diaz, D.E. Molina, R. Repukaiti, F. Madani Sani, M. Lencka, A. Anderko, N. Arulsamy, T.E. Lister, “Fractional Precipitation of Ni and Co Double Salts from Lithium-Ion Battery Leachates,” RSC Sustainability, 2 (2024) 3298-3310.
  • Y. Fujita, D. Park, M. Lencka, A. Anderko, D. Reed, V. Thompson, G. Das, A. Eslamimanesh, and Y. Jiao, “Beneficiation of Rare Earth Elements: Prospects for Biotechnology Deployment,” Chapter 8 in “Rare Earth Elements: Sustainable Recovery, Processing, and Purification,” edited by A.K. Karamalidis and R. Eggert, Wiley (2025), pp. 251-297.

Transport Properties

  • 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.
  • 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 and A. Anderko, “Revised Model for the Thermal Conductivity of Multicomponent Electrolyte Solutions and Seawater”, Int. J. Thermophysics, 36 (2015) 5-24.

Collaborative Research and Partnerships

OLI remains at the forefront of scientific innovation by actively engaging with government agencies, research institutions, and industry leaders. Our research is supported by key US federal government grants and consortium memberships, including: 

  • National Alliance for Water Innovation (NAWI)
  • Critical Materials Innovation (CMI) Hub
  • SRI International
  • Small Business Innovation Research awards
  • U.S. Naval Research Laboratory
  • NASA

In addition, we collaborate with leading organizations and accredited institutions to conduct joint research, facilitating computational-experimental feedback loops. 

  • Savannah River National Laboratory
  • Phillips 66
  • Institute for Energy Technology (IFE), Norway
  • Shell plc
  • Canada’s Oil Sands Innovation Alliance (COSIA)

Technical Resources

Our blog series is organized by application. A few pieces are highlighted below to demonstrate the breadth of OLI’s detailed and accurate predictions. 

Corrosion

Oil & Gas

Carbon Capture, Transportation, Utilization, and Storage (CCTUS)

Critical Materials

Metals & Mining

Case Studies: Industry Impact

Our customer case studies demonstrate the value that OLI brings in solving real-world chemistry problems.  

Companies Trusting OLI’s Solutions

OLI has an extensive and growing client list spanning various industries, research, and academia. Check out more about our diverse customer base here.

 

For information about the latest chemistry database updates (V12), please see our Support Center.

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