Difference between revisions of "Thermodynamics"

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(OLI Papers and Presentations on Thermodynamics)
(OLI Papers and Presentations on Thermodynamics)
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* [[x-based and m-based activity coefficients in the solver]]
 
* [[x-based and m-based activity coefficients in the solver]]
 
* [[Converting mole fraction based equilibrium constants to molality based values]]
 
* [[Converting mole fraction based equilibrium constants to molality based values]]
 +
* [[Electrolytes and Activity Coefficients]]
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* [[Self-diffusivity]]
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* [[Total Dissolved Solids (TDS)]]
  
 
== OLI Modeling ==
 
== OLI Modeling ==
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**[[Pre-scaling Tendencies]]
 
**[[Pre-scaling Tendencies]]
 
* [[Sparingly Soluble Organics]]
 
* [[Sparingly Soluble Organics]]
* [[Standard Liquid Volume]]
+
* [[Volumes vs. Standard Volumes vs. Standard Liquid Volumes]]
 
* [[TRANGE]]
 
* [[TRANGE]]
 
* [[True Species vs Apparent species]]
 
* [[True Species vs Apparent species]]
 
* [[Relative Humidity]]
 
* [[Relative Humidity]]
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* [[Fixed, point and parent stream conditions - Definitions]]
  
 
== Data Regression ==
 
== Data Regression ==
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* [[Mixed Solvent Electrolyte ( MSE) model Regression Parameters]]
 
* [[Mixed Solvent Electrolyte ( MSE) model Regression Parameters]]
 
* [[ Traditional Regression Parameters]]
 
* [[ Traditional Regression Parameters]]
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* [[What is the SOLU parameter?]]
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* [https://downloads.olisystems.com/Documents/Manuals/Data-K-Value.pdf Using Stability Constants (Equilibrium Constants) with the OLI Databook (PDF)]
  
 
== OLI Papers and Presentations on Thermodynamics ==
 
== OLI Papers and Presentations on Thermodynamics ==
  
* [[Media:Electrolytes-review.pdf | Anderko, A., Wang, P., & Rafal, M. (2002). Electrolyte solutions: from thermodynamic and transport property models to the simulation of industrial processes. Fluid Phase Equilibria, 194-197, 123-142. (PDF]]
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* [[Media:ElectricalConductivity-Aqueous.pdf | Anderko, Andrej, Lencka, Malgorzata. "Computation of Electrical Conductivity of Multi component Aqueous Systems in Wide Concentration and Temperature Ranges. Ind. Eng.Chem.Res. 1997, 36, 1932-1943 (PDF)]]
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* [[Media:Electrolytes-review.pdf | Anderko, A., Wang, P., & Rafal, M. (2002). Electrolyte solutions: from thermodynamic and transport property models to the simulation of industrial processes. Fluid Phase Equilibria, 194-197, 123-142. (PDF)]]
 
* [[Media:MSE acid-base equilibria 2007.pdf | Kosinski, J. J., Wang, P., Springer, R. D., & Anderko, A. (2007). Modeling acid–base equilibria and phase behavior in mixed-solvent electrolyte systems. Fluid Phase Equilibria, 256, 34-41.(PDF)]]
 
* [[Media:MSE acid-base equilibria 2007.pdf | Kosinski, J. J., Wang, P., Springer, R. D., & Anderko, A. (2007). Modeling acid–base equilibria and phase behavior in mixed-solvent electrolyte systems. Fluid Phase Equilibria, 256, 34-41.(PDF)]]
 
* [[Media:Amines and amine hydrochlorides.pdf | Lencka, Malgorzata M., Jerzy J. Kosinski, Peiming Wang, Andrzej 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]]
 
* [[Media:Amines and amine hydrochlorides.pdf | Lencka, Malgorzata M., Jerzy J. Kosinski, Peiming Wang, Andrzej 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]]
 
* [[media:Lencka1993ChemMater61.pdf | Lencka, Malgorzata M., Richard E. Riman, "Thermodynamic Modeling of Hydrothermal Synthesis of Ceramic Powders." Chem. Mater. 1993, 5, 61-70. (PDF)]]
 
* [[media:Lencka1993ChemMater61.pdf | Lencka, Malgorzata M., Richard E. Riman, "Thermodynamic Modeling of Hydrothermal Synthesis of Ceramic Powders." Chem. Mater. 1993, 5, 61-70. (PDF)]]
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* [[media:Lencka1995ChemMater18.pdf | Lencka, Malgorzata M., Richard E. Riman, "Thermodynamic Modeling of Hydrotehrmal Synthsis of Calcium Titanate with Reference to Other Alkaline-Earth Titanates." Chem. Mater. 1995, 7, 18-25. (PDF)]]
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* [[media:Lencka2000ChemMater1323.pdf | Lencka, Malgorzata M., Magdalena Oledzka, Richard E. Riman, "Hydrothermal Synthesis of Sodium and Potassium Bismuth Titanates." Chem. Mater. 2000, 12, 1323-1330 (PDF)]]
 
* [[Media:2016-OLI-SimSci-partnership Rasika Nimkar FINAL-rev.pdf | Nimkar, R., Simulating refining overhead chemistry in Pro/II. Presented at the SimSci User Conference Pasadena, California September 2016]]
 
* [[Media:2016-OLI-SimSci-partnership Rasika Nimkar FINAL-rev.pdf | Nimkar, R., Simulating refining overhead chemistry in Pro/II. Presented at the SimSci User Conference Pasadena, California September 2016]]
 
* [[Media:CO2-salt-water.pdf | Springer, R. D., Wang, Z., Anderko, A., Wang, P., & Felmy, A. R. (2012). 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, 151-171.(PDF)]]
 
* [[Media:CO2-salt-water.pdf | Springer, R. D., Wang, Z., Anderko, A., Wang, P., & Felmy, A. R. (2012). 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, 151-171.(PDF)]]
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* [[Media:MEG-salts-gases 2013.pdf | Wang, P., Kosinski, J. J., Anderko, A., Springer, R. D., Lencka, M. M., & Liu, J. (2013). Ethylene Glycol and Its Mixtures with Water and Electrolytes: Thermodynamic and Transport Properties. I & EC Research, 52, 15968-15987. (PDF)]]
 
* [[Media:MEG-salts-gases 2013.pdf | Wang, P., Kosinski, J. J., Anderko, A., Springer, R. D., Lencka, M. M., & Liu, J. (2013). Ethylene Glycol and Its Mixtures with Water and Electrolytes: Thermodynamic and Transport Properties. I & EC Research, 52, 15968-15987. (PDF)]]
 
* [[Media:Borate systems 2013.pdf | Wang, P., Kosinski, J. J., Lencka, M. M., Anderko, A., & Springer, R. D. (2013). Thermodynamic modeling of boric acid and selected metal borate systems. Pure Appl. Chem., 85(11), 2117-2144.(PDF)]]
 
* [[Media:Borate systems 2013.pdf | Wang, P., Kosinski, J. J., Lencka, M. M., Anderko, A., & Springer, R. D. (2013). Thermodynamic modeling of boric acid and selected metal borate systems. Pure Appl. Chem., 85(11), 2117-2144.(PDF)]]
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* [[media:1-s2.0-S0378381201005076-main.pdf | Wang, Peiming, and Andrzej Anderko. “Computation of Dielectric Constants of Solvent Mixtures and Electrolyte Solutions.” Fluid Phase Equilibria, vol. 186, no. 1, Jan. 2001, pp. 103–122.(PDF)]]
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* [[media:Actinides.pdf | Peiming Wang, Andrzej Ankderko, Jerzy J. Kosinski, Ronald D. Springer & Malgorzata 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)" J.Solution Chem (2017) 46:521-588]]
  
 
== Unit Operations ==
 
== Unit Operations ==

Revision as of 17:54, 2 December 2019

OLI Thermodynamics and Concepts section will help provide users with an insight about basic concepts OLI software and the engine is built on.


General Thermodynamics and Fundamentals

OLI Modeling

Data Regression

OLI Papers and Presentations on Thermodynamics

Unit Operations