Aqueous
Chemistry World recognized experts 30 years research and development OLI's Aqueous Electrolyte Model Provides... A Predictive Equation of State and Activity Coefficient Model OLI's predictive thermodynamic model is based upon published experimental data. The model uses data regression wherever possible and estimation and extrapolation where required. This model provides general simulation capability giving accurate prediction for almost any aqueous chemical mixture over the range: Temperature: -50 to 300 C Other aqueous speciation programs lack a predictive activity coefficient model. Thus, for most multicomponent systems, their applicability is limited to very dilute solutions. A Databank Covering Most of the Periodic Table and Thousands of Organics OLI has built a large thermodynamic databank which covers most of the periodic table of elements. This includes the aqueous phase speciation and associated phases speciation chemistry and thermodynamics for 79 inorganic elements and more than 3000 organic molecules including many organic electrolytes. An Advanced Thermodynamic Engine |
79 inorganic elements of the periodic table in a sophisticated databank |
Understanding Mixed Solvent Electrolytes
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How Accurate Are OLI Predictions? We are often asked about the accuracy of our predictions for aqueous-based chemical systems. It is OLI's goal to always provide you with the most accurate and reliable aqueous electrolyte simulation possible through quality data regressions and fits over the range of interest for our user's applications. The good news is that actual data exists for nearly all chemical systems of common industrial interest and, in most cases, we have utilized this data in building our databanks. Where data is limited or nonexistent, we have to rely on estimation techniques. For high concentration multicomponent systems, particularly at high temperature, where estimation has been used, the predictions can reflect substantial errors. Included in this error, specifically for those systems above 100C and where estimation has been used, is an error resulting from the use of polynomial fits to the thermodynamic property formulations of the Helgeson Equation of State. If you have some reason to question the accuracy of simulations for your system, you can send us your chemistry model and conditions of interest and we would be pleased to evaluate the level of uncertainty that you can expect for your system. |
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| Extensive Phases | Large multicomponent systems can be modeled using the OLI Software. Without simplifying assumptions, OLI provides for the consideration of up to 250 possible solid phases, a vapor phase and a nonaqueous liquid phase. |
| Redox Chemistry | OLI provides for the option of automatically including redox chemistry thermodynamics. A databank supports calculations involving redox of pure metals as well as alloys. Combined with our in-place databank, redox chemistry can be studied for real solutions, including trace components. |
| Solid Surface / Aqueous Sorption Phenomena | OLI provides for the possibility of partitioning to a solid phase via coprecipitation, surface complexation, ion exchange or molecular adsorption (including carbon adsorption). |
| Predictive Models for Principal Transport Properties |
OLI provides rigorous predictive models and supporting databanking for electrical conductivity, viscosity and self diffusivity over the full range of conditions. |
| Thermodynamic and Derived Thermodynamic Properties |
OLI provides for the rigorous computation of the principal thermodynamic properties including Gibbs free energy, enthalpy, entropy, heat capacity and volume. Derived thermodynamic properties such as density, osmotic pressure, and ORP are also supported. |
