Accurately Model Complex Electrolyte Chemistry for CO2 Capture and H2 Production Processes


Accurate electrolyte chemistry is crucial to model Carbon Capture processes with amine solvent and hydrogen production processes. Learn how to address common challenges when modeling electrolyte chemistry for carbon capture and hydrogen production.

Audience:

Engineers who need to use first principles simulations to solve Sustainability problems for processes or process units. 

Training Details

  • Course Id:

    SUS-P202

  • Duration:

    2 day(s)

  • CEUs Awarded:

    1.4

  • Level:

    Intermediate

Benefits

Identify key property methods to model Hydrogen Production, and End-to-End Carbon Capture process. 

Explore ionic chemistry setup with trend analysis for pH, density, viscosity and enthalpy at different temperature, pressure and at different ionic strength.

Review the electrolyte property methods framework and study the property parameters used for modeling ionic simulation.

Learn estimating and regressing physical property parameters for ionic systems.

Model processes such as gas sweetening and pH/neutralization in liquid-liquid equilibrium.

Approach

  • Instruction on basic topics
  • Demonstrations of general features
  • Instructor-guided exercises
  • Hands-on workshops that apply learned concepts
  • Example problems
  • Detailed course notes

Pre-requisites

Some prior experience in modeling using Aspen Plus

Agenda

  • Introduction to Electrolyte Simulation
  • Review and explain the electrolyte capabilities in Aspen Plus
  • Review the types of components present
  • Address special issues when modeling processes with electrolytes

 

  • Using the Electrolyte Wizard
  • Learn about and review the Aspen Plus Electrolyte Wizard
  • Apply the Electrolyte Wizard to a dedicated workshop
  • Workshop: Create an acid neutralization model using the Electrolyte Wizard
  • Workshop: Use the Electrolyte Wizard to set up an electrolyte-based calculation for a single-stage MEA stripper - Sustainability Focus

 

  • Electrolyte Chemistry
  • Understand electrolyte chemistry
  • Discuss how electrolyte chemistry data can be generated and implemented into Aspen Plus

 

  • Component Analysis
  • Examine the consequences of the two available choices (true & apparent) to represent electrolyte species within an Aspen Plus simulation
  • Workshop: Use appropriate property reporting options to access true and apparent component data

 

  • Property Sets
  • Examine the various reportable physical properties specific to electrolyte systems
  • Workshop: Simulate the titration of phosphoric acid with sodium hydroxide and use a Sensitivity analysis to study the model

 

  • Electrolyte Property Methods
  • Outline the common framework used by the electrolyte property methods
  • Give the theory of the electrolyte property methods
  • Define the property methods that support electrolyte systems

 

  • Electrolyte Property Parameters
  • Discuss calculation of enthalpy, Gibbs energy, and heat capacity for an electrolyte mixture
  • Review density models and transport properties (viscosity, thermal conductivity, and surface tension)
  • Perform calculation for regression of density parameters for FeCl3 solution

 

  • Sources of Property Data
  • Review the different means of acquiring required data for an electrolyte simulation
  • Discuss the built-in Aspen Properties databanks
  • Utilize pre-built Electrolyte Insert files in Aspen Plus & Aspen Properties

 

  • Estimation
  • Provide an overview of estimating pure component physical property parameters for electrolyte systems
  • Workshop: Create a flowsheet to model the neutralization of waste water with magnesium hydroxide

 

  • Electrolyte Property Regression
  • Provide an overview of regressing physical property parameters for electrolyte systems
  • Workshop (1): Regress Electrolyte pair parameters using TPXY data for a mixed solvent system of Water-Methanol-NaBr
  • Workshop (2) : Regress solubility data for the precipitation of Na2SO410H2O and Na2SO4 anhydride 

 

  • Distillation Columns with Electrolytes
  • Apply electrolyte modeling in distillation unit operations involved in carbon capture
  • Discuss using equilibrium-based and Rate-Based distillation Modeling with Electrolyte
  • Distillation for the simulation of distillation columns with ionic solutions
  • Demonstration: Study ionic Distillation (HCl absorbtion)
  • Workshop: Adjust and optimize electrolyte reactions on an MEA absorber used for carbon capture

 

  • Liquid-Liquid Equilibrium
  • Introduction to some of the complexities of liquid-liquid equilibrium for an electrolyte system
  • Workshop: Model the Vapor-Liquid-Liquid equilibrium of a sour water/organic system using a Flash3 block

 

  • Ice Formation
  • Learn how to include ice formation via Chemistry
  • Workshop: Predict the amount of ice formed at different temperatures for a 10 wt. % NaCl-Water solution 

Register for a Class

Date Class Type Location Price Language
Date(s): 03/13/2023 - 03/14/2023 Type: Public Virtual Location: Virtual-Americas Price: (USD) 1600.00 Language: English Register
Date(s): 06/19/2023 - 06/20/2023 Type: Public Virtual Location: Virtual-Americas Price: (USD) 1600.00 Language: English Register
Date(s): 03/6/2023 - 03/7/2023 Type: Public Virtual Location: Virtual-APAC Price: (USD) 600.00 Language: English Register
Date(s): 03/6/2023 - 03/7/2023 Type: Public Virtual Location: Virtual-EMEA Price: (USD) 1700.00 Language: English Register
Date(s): 02/13/2023 - 02/14/2023 Type: Public Virtual Location: Virtual-Americas Price: (USD) 800.00 Language: English Register

Aspen Technology, Inc. awards Continuing Education Units (CEUs) for training classes conducted by our organization. One CEU is granted for every 10 hours of class participation.