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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* [[What is a "BINTER"?]]
 
* [[What is a "BINTER"?]]
 
* [[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]]
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* [[Electrolytes and Activity Coefficients]]
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* [[Self-diffusivity]]
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* [[Total Dissolved Solids (TDS)]]
  
 
== OLI Modeling ==
 
== OLI Modeling ==
 
* [[How to calculate fugacities when no vapor phase is present]]
 
* [[How to calculate fugacities when no vapor phase is present]]
* [https://downloads.olisystems.com/TIPS/OLI-Tips80-Reaction%20Kinetics%20and%20OLI.pdf Reaction Kinetics Overview in OLI Software (PDF, 2.5 MB)]
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* [[How to "Set" the partial pressure of a gas?]]
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* [https://downloads.olisystems.com/TIPS/OLI-Tips80-Reaction%20Kinetics%20and%20OLI.pdf Reaction Kinetics Overview in OLI Software (PDF, 2.5 MB, TIPS #80)]
 
* [[Scaling Tendencies]]
 
* [[Scaling Tendencies]]
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**[[Pre-scaling Tendencies]]
 
* [[Sparingly Soluble Organics]]
 
* [[Sparingly Soluble Organics]]
* [[Standard Liquid Volume]]
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* [[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:MSE-2002FluidPhaseEq141.pdf |Wang, P., Anderko, A., & Young, R. D. (2002). A speciation-based model for mixed-solvent electrolyte systems. Fluid Phase Equilibria, 203, 141-176. (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]]
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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)]]
* [[Media:MSE-Viscosity.pdf | Wang, P., Anderko, A., & Young, R. D. (2004). Modeling viscosity of concentrated and mixed-solvent electrolyte systems. Fluid Phase Equilibria, 226, 71-82. (PDF)]]
+
* [[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]]
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* [[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)]]
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* [[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]]
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* [[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:Chapter 7.pdf | Rafal, M., Berthold, J. W., Scrivner, N. C., & Grise, S. L. (1994). Models for Electrolyte Solutions. In S. I. Sandler, Models for Thermodynamic and Phase Equilibrium Calculations (p. 686). New York: Marcel Dekker, Inc.(PDF, 9.35 mB)]]
 
* [[Media:MSE-Thermal Conductivity.pdf | Wang, P., & Anderko, A. (2008). Modeling Thermal Conductivity of Concentrated and Mixed-Solvent Electrolyte Systems. Ind. Eng. chem. Res, 47, 5698-5709. (PDF)]]
 
* [[Media:MSE-Thermal Conductivity.pdf | Wang, P., & Anderko, A. (2008). Modeling Thermal Conductivity of Concentrated and Mixed-Solvent Electrolyte Systems. Ind. Eng. chem. Res, 47, 5698-5709. (PDF)]]
 +
* [[Media:MSE-2002FluidPhaseEq141.pdf |Wang, P., Anderko, A., & Young, R. D. (2002). A speciation-based model for mixed-solvent electrolyte systems. Fluid Phase Equilibria, 203, 141-176. (PDF)]]
 
* [[Media:MSE-Geochemical-J Geochem Exploration 2010.pdf | Wang, P., Anderko, A., Springer, R. D., Kosinski, J. J., & Lencka, M. M. (2010). Modeling chemical and phase equilibria in geochemical systems using a speciation-based model. Journal of Geochemical Exploration, 106, 219-225.(PDF)]]
 
* [[Media:MSE-Geochemical-J Geochem Exploration 2010.pdf | Wang, P., Anderko, A., Springer, R. D., Kosinski, J. J., & Lencka, M. M. (2010). Modeling chemical and phase equilibria in geochemical systems using a speciation-based model. Journal of Geochemical Exploration, 106, 219-225.(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)]]
+
* [[Media:MSE-Viscosity.pdf | Wang, P., Anderko, A., & Young, R. D. (2004). Modeling viscosity of concentrated and mixed-solvent electrolyte systems. Fluid Phase Equilibria, 226, 71-82. (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: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)]]
* [[Media:Amines and amine hydrochlorides.pdf | Malgorzata M. Lencka, 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: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)]]
* [[Media:2016-OLI-SimSci-partnership Rasika Nimkar FINAL-rev.pdf | Rasika Nimkar. Simulating refining overhead chemistry in Pro/II. Presented at the Pro/II Simulation Conference September 2016]]
+
* [[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