COSIA beyond solubility project meeting

Slides:



Advertisements
Similar presentations
Opening new doors with Chemistry THINK SIMULATION! 24 th Conference October 23-24, 2007 Product Development Pat McKenzie & A.J. Gerbino, AQSim October.
Advertisements

Particle size Ions  molecular clusters  nanocrystals  colloids  bulk minerals Small particles can have a significant % of molecules at their surface.
Modelling of metal cation adsorption on outer oxide film surfaces Jarmo Lehikoinen ANTIOXI Advisory Board Meeting VTT Materials and Building, 6 February,
John Mahoney Hydrologic Consultants, Inc.,
Screening of a Sulfonamides Library by Supercritical Fluid Chromatography Coupled to Mass Spectrometry (SFC-MS). Preliminary properties-retention study.
Dissociation of H 2 O:H 2 O ↔ H + + OH - K w = a H+ a OH- a H2O Under dilute conditions: a i = [i] And a H2O = 1 Hence: K w = [H + ] [OH - ] At 25 o C.
Pressure Vessel Measurements and Modelling of Metal Solubility in Aqueous Processes Vladimiros G. Papangelakis Dept. of Chemical Engineering & Applied.
This work was funded by CHERUB Environmental and Educational Projects Ltd. S c i e n c e f o r A g r i c u l t u r e a n d t h e E n v i r o n m e n t.
Colloidal Stability Introduction Interparticle Repulsion
Karst Chemistry I. Definitions of concentration units Molality m = moles of solute per kilogram of solvent Molarity [x]= moles of solute per kilogram.
Environmental Processes Fundamental processes in soil, atmospheric and aquatic systems 2.i Ion exchange.
The NEA Sorption Project a multinational cooperative program to advance the use of Thermodynamic Sorption Models Mark Fuhrmann U.S. NRC Office of Nuclear.
FUNDAMENTAL CHEMISTRY AND CONTROL OF STRUVITE PRECIPITATION James Doyle School of Water Sciences, Cranfield University England Further Work Struvite (MgNH.
Characterization of Al-Humic Complexation and Coagulation Mechanism Removal of natural organic matter (NOM) by coagulation using metal coagulants (aluminium.
Caveats – don’t give K d more power than it deserves Kp and Kd are partitioning and distribution coefficients that vary with soil properties, solution.
Vlad Papangelakis Dept. of Chemical Engineering & Applied Chemistry University of Toronto CNC-IAPWS May 23, 2003 High temperature solution chemistry in.
A unifying model of cation binding by humic substances Class: Advanced Environmental Chemistry (II) Presented by: Chun-Pao Su (Robert) Date: 2/9/1999.
LECTURER (CHEMISTRY) GOVT.POLYTECHNIC INSTITUTE LAYYAH.
PART-2 Geochemical Equilibrium Models CASE STUDY: MINEQL+ An interactive data management system for chemical equilibrium modeling.
Phase Interactions Objective –to understand the chemical principles, significance and application of Phase changes in Environmental Engineering. Phase.
ANALYTICAL CHEMISTRY CHEM201/212/213. ANALYTICAL CHEMISTRY (16 ANALYTICAL CHEMISTRY (16 Lectures + 6 Tutorials) Statistical tests and error analysis:
EXPLORING SOLID-LIQUID INTERFACIAL CHEMISTRY DURING CATALYST SYNTHESIS Christopher T. Williams, John R. Monnier, John R. Regalbuto USC Center for Rational.
Acid-Base Titration and pH Chapter 15 Preview Image Bank Hydronium Ions and Hydroxide Ions Some Strong Acids and Some Weak Acids Concentrations and Kw.
Contract Year 1 Review IMT Tilt Thompkins MOS - NCSA 15 May 2002.
Determination of Amine Volatility for CO 2 Capture Thu Nguyen January 10, 2008 The University of Texas at Austin Professor Gary Rochelle.
Electron transfer in heterogeneous systems (on electrodes)
Corrosion prediction Understanding the effect
Think Simulation! Adventures in Electrolytes OLI Electrolyte Simulation AJ Gerbino Pat McKenzie May 2015.
Think Simulation! Adventures in Electrolytes OLI Electrolyte Simulation AQSim February 2016.
Challenges with simultaneous equilibrium Speciation programs (MINEQL)
2.2 Properties of Water KEY CONCEPT Water’s unique properties allow life to exist on Earth.
Acids & Bases pH Scale.
Orientation to OLI corrosion techology
Orientation to OLI Flowsheet: ESP
Titration Chapter 21 section 1.
Crude Unit Overhead Modeling The technology that makes it possible
ADSORPTION The removal of dissolved substances from solution using adsorbents such as activated carbon.
S as an energy relationship
Tim Drews, Dan Finkenstadt, Xuemin Gu
OLI technology & electrolyte simulation
Acid-Base Titration and pH
Chemical Kinetics The rate of a reaction is the positive quantity that expresses how the concentration of a reactant or product changes with time. The.
Project Goals and Approach Experimental Sequence
OLI 24th Users Conference October 24,2007
Chem. 31 – 11/20 Lecture.
KEY CONCEPT Water’s unique properties allow life to exist on Earth.
Mass Action & Mass Balance
Jerzy Kosinski and Andre Anderko
Aquatic Chemistry 367 Civil and Environmental Engineering
Orientation to OLI Flowsheet: ESP
Set the simulation’s duration
Sensitivities in OLI Flowsheet: ESP
Introducing OLI Flowsheet: ESP
Calculating Concentration
Chemical Kinetics The rate of a reaction is the positive quantity that expresses how the concentration of a reactant or product changes with time. The.
Orientation to OLI RO Membrane simulation
COSIA project update meeting
Electron transfer in heterogeneous systems (on electrodes)
Calculating Concentration
KEY CONCEPT Water’s unique properties allow life to exist on Earth.
Why is this happening? Complete POE verbally.
How Important Is Water???.
How Important Is Water???.
Steven L. Grise Brian J. Saldanha Oct 23, 2007
RO Membrane in OLI Flowsheet: ESP
Electron transfer in heterogeneous systems (on electrodes)
Andrew P. Wong, Qiuli Liu, John R. Regalbuto
Yuting Lin, Yan Zhang, Marcia Silva
Solving weak acid equilibrium problems:
DSC Change Committee Update
Presentation transcript:

COSIA beyond solubility project meeting OLI Systems, Inc. 4 December 2018

Presentation outline Introductions Project review by phase Focus: modeling update & simulation presentation Final deliverable: guidelines and cases What’s next

Meet these objectives by Project introduction COSIA beyond solubility Business Objective To improve and extend simulation prediction capabilities of the oil sands chemistry in processes characteristic of oil sands treatment Technical Objective Beyond solubility, to address questions regarding the impact of both kinetics and surface complexation on simulation techniques for oil sands applications Meet these objectives by Simplified model development in kinetics and surface complexation Flowsheet simulations developed in OLI Flowsheet: ESP

Project accommodations AQSim (now OLI) retains joint ownership of Flowsheet: ESP case simulation techniques OLI acquired AQSim after proposal / before contract Final contract has been with OLI Systems, AJ Gerbino remained PI Start June 2018 End December 2018 (Jan 2019) AQSim provided in-kind funding to accommodate COSIA 2017 budget Cost Intellectual Property Organization Timing

COSIA project by phase Phase Description Deliverables 1.0 Framework Develop a lime softening private databank Develop a kinetic framework for slaking & silica removal COSIA-LS preliminary Flowsheet: ESP case to use as a template 2.0 Modeling Simplified modeling of surface complexation (needed OLI solver update) V9.6.2 released 30 November 3.0 Tuning Tuning with 2 case simulations CNRL and Nexen data used to check model Subject of this meeting Cases will be sent as 2 additional sample cases 4.0 Deployment Written guidelines documenting the method of developing a new case study Delivered by 15 December

Today’s plan Modeling phase discussion Tuning discussion Deployment discussion

Modeling Adsorption of SiO2 on MagOx with Surface Complexation Double Layer Model Protonation/deprotonation of surface on minerals: (i.e. XOH0 = MagOx) XOH0 + H3O+ = XOH2+ + H2O K+int = (𝐗𝐎𝐇𝟐+) 𝐗𝐎𝐇𝟎 𝒂𝑯𝟑𝑶𝒔+ XOH0 + H2O = XO- + H3O+ K-int= 𝐗𝐎− 𝒂𝑯𝟑𝑶𝒔+ 𝐗𝐎𝐇𝟎 Surface complexation with SiO2: XO- + HSiO3- + H3O+ = XO-SiO2- + 2H2O K1int = 𝐗𝐎−𝑺𝒊𝑶𝟐− 𝐗𝐎− 𝒂𝑯𝑺𝒊𝑶𝟑𝒔− 𝒂𝑯𝟑𝑶𝒔+ XOH0 + HSiO3- + H3O+ = XOH-SiO20 + 2H2O K2int= 𝐗𝐎𝐇−𝐒𝐢𝐎𝟐𝟎 𝐗𝐎𝐇𝟎 𝒂𝑯𝑺𝒊𝑶𝟑𝒔− 𝒂𝑯𝟑𝑶𝒔+ XOH2+ + HSiO3- + H3O+ = XOH2-SiO2+ + 2H2O K3int = (𝐗𝐎𝐇𝟐−𝐒𝐢𝐎𝟐+) 𝐗𝐎𝐇𝟐+ 𝒂𝑯𝑺𝒊𝑶𝟑𝒔− 𝒂𝑯𝟑𝑶𝒔+ Surface acidity constants axs (aH3Os, aHSiO3s): activities of species at the surface, which are related to bulk solution activities, axb, by axs= axb·[exp(-F/RT)]z where  is surface potential F is Faraday constant z is charge of the ion adsorption binding constants Key parameters in DLM: K+int & K-int – based on acidimetric titration data & constrained by PZC K1int - K3int – based on adsorption data axb – determined by MSE thermodynamic model  – calculated from DLM, as  is related to surface charge density, , by  = (8·R·TK··0·I·103)1/2·sinh[Z· ·F/(2·R·T)]  can be determined from  =F·(zi·Ci)/(A·S) A – specific surface area, m2/g S – solid concentration, g/kgH2O Ci – concentration (mol//kgH2O) of complex species

Demonstration of Results Coverage of experimental conditions - Temperature: 10 to 100C MagOx concentration used: 0 to 20,000ppm SiO2 concentration treated: 7 to 260 ppm Solution pH range: 6.3 to 11.5