Example - 07 ChemApp Projects

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Navigation: User Guide ➔ Example Projects ➔ 07 ChemApp

This page is for examples which are present in SysCAD 9.3 Build 139 or later.


Combustion Example

Combustion Example.png

Project Location

This is a Steady State project and is stored at:
..\SysCADXXX\Examples\07 ChemApp\ChemAppLight\Combustion Example.spf

NOTE:

  1. This project is mainly for evaluating ChemApp in SysCAD, user must have ChemApp or ChemApp light installed for this project to work. See ChemApp FACTSage Add-On for more information.
  2. Available in Build139 and later.

Features demonstrated

  1. A simple project showing how to incorporate the ChemApp models into a SysCAD flowsheet.
    • This project uses the same flowsheet as the Boiler and Combustion Project, for information of the original project, please see Boiler and Combustion Project.
  2. The project shows the same flowsheet modelled three times, using different unit models to emulate the combustion of fuel and energy transfer to the boiler. These include:
    • Flowsheet 1: Using ChemApp reactor for combustion, and for composition of flue gas at the reduced temperature.
    • Flowsheet 2: Using FEM reactor for combustion, and for composition of flue gas at the reduced temperature.
    • Flowsheet 3: The original flowsheet, using reactions, the flue gas composition is set by user reactions.
  3. Shows the use of ChemApp Model Configuration.
  4. Shows the use of ChemApp Direct Calc Model
  5. Shows the use of ChemApp Side Calc Model
  6. Shows the use of ChemApp Reactor

Brief Project Description

This project shows how to use simple process units to model complex systems. The Project is set up as two separate sections, Boiler and Combustion.

  • Boiler: The boiler section will heat and vapourise the boiler feed water, producing steam at the defined conditions. It will also report the energy required to achieve this.
  • Combustion: Fuel is used to produce energy in the combustion chamber, the amount of energy produced is dictated by the boiler.
  • Air to the combustion chamber is preheated by heat exchange with the flue gas. Air supply is in excess, done via a general controller.

Project Configuration

  • ChemApp Model Configuration:
    1. A predefined ChemApp Model definition file: CNO.dat is used in this project. This file can be found in the ChemApp installation folder or in this case, the CfgFiles folder.
    2. The SysCAD species database (SysCAD.93.db3) has been edited to contain the species as defined in the ChemApp model file (CNO.dat). The ChemApp species and SysCAD species are mapped using the IPhaseMap.txt file. The IPhaseMap.txt must exist in the CfgFiles folder.
    3. Due to the limitation of ChemApp Light, only 30 species can be used by ChemApp SysCAD models.
    4. The ChemApp model file (CNO.dat) did not include H2O or H2, H2O(g) has set to bypass the ChemApp unit models in this project.
    5. Also due the species limitation of the CNO.dat model file, the fuel input has changed to C(carb) instead of CH4 used in the original Boiler and Combustion Project example.
  • ChemApp direct Calc:
    1. The ChemApp direct calc model can be set up to check ChemApp calculated values, in this case, a set of "fuel and air" mixture values have been entered to check the adiabatic temperature using ChemApp enthalpy values.
    2. Note that ChemApp enthalpy may be different to SysCAD enthalpy, as the SysCAD.93.db3 data may not be using the same data as ChemApp.
  • Boiler Section:
    1. User specifies the BFW condition (in the feeder)
    2. User defines the Final T&P, Blowdown % and boiler efficiency
    3. SysCAD calculates the heat required for boiling and superheating the steam
    4. SysCAD calculated the fuel energy requirements based on boiler efficiency. This energy is tells the combustion chamber how much heat is required.
  • Fuel Section:
    1. We have used a dry fuel in this example as H2O is not a ChemApp species in the CNO.dat file.
    2. The Fuel and air mixture is fed to the ChemApp reactor, using the Enthalpy operation mode. This means the model will keep SysCAD enthalpy values constant, the SysCAD feed Hf@T value should match the SysCAD prod Hf@T.
    3. The hot mixture is then used to heat and evaporate water in the boiler.
    4. As the energy is removed by the boiler, the flue gas temperature drops, the air composition will change based on temperature.
    5. A ChemApp reactor has been added to the flue gas stream to check the gas composition.
    6. The gas composition should have changed inside the boiler HX section, but since we are trying to emulate this process after the gas has already exited the boiler, we need to transfer the energy back into the boiler feed stream. This is done by adding a EHX on the Hot Gas line.
    7. A ChemApp side calc model has been added to check the final flue gas composition.

Discussion

Fuel requirement differences:

  1. User should note that ChemApp and SysCAD uses two different species database, therefore it is possible that the thermodynamic data came from different references. As a result, user will often find mismatch of enthalpy values, this is shown by the different fuel requirements when comparing the ChemApp and FEM case.
  2. The combustion gas and flue gas composition are not the same, with our simple reaction case, we have assumed the combustion gas composition is the final flue gas composition, thus we have a different fuel prediction in "03 Combustion using reactions" (when compared with the FEM case, while both are using SysCAD enthalpy values).


Included Excel Report

None

Nickel Laterite Smelter

Laterite Smelter.png

Project Location

This is a Steady State project and is stored at:
..\SysCADXXX\Examples\07 ChemApp\ChemAppFull\Nickel_Laterite_Smelter.spf

NOTES:

  1. This project is mainly for evaluating ChemApp in SysCAD, user must have a Licensed copy of ChemApp installed for this project to work. See ChemApp FACTSage Add-On for more information.
  2. Example project courtesy of M4 Dynamics Inc, Canada. (www.m4dynamics.com)
  3. Example cst database is based on published data and collated by M4 Dynamics Inc, Canada. (www.m4dynamics.com)
  4. Available in Build139 and later.

Features demonstrated

  1. A project showing how to incorporate the ChemApp models into a SysCAD flowsheet.
  2. Shows the use of ChemApp Model Configuration.
  3. Shows the use of ChemApp Reactor
  4. Shows the use of advanced features: species suppression, constrained free energy.

Brief Project Description

  • The objective is to model the Rotary Kiln Electric Furnace (RKEF) process to produce liquid ferronickel at approximately 40% Ni grade, from a serpentine ore containing 2.1%Ni, 22%Fe, 11% crystalline water and a SiO2/MgO ratio of 1.8 (on a mass basis). The initial free moisture content of the ore is 40% by weight.
  • The moisture is driven off in the dryer, the dryer energy is provided by burning Fuel (CH4).
  • The dried ore then goes through a reduction kiln with addition of Carbon.
  • The calcine product is then sent to an electric furnace to produce liquid metal product and slag waste.
  • Electric furnace offgas is combusted and then combined in a manifold with other process offgas.

Project Configuration

  • ChemApp Model Configuration:
    1. A predefined ChemApp Model definition file: M4D_Laterite_CFE.cst is used in this project. This file was created and supplied by M4 Dynamics Inc, Canada. It can be used by any ChemApp dongle ID.
    2. The SysCAD species database (SysCAD.93.db3) has been edited to contain the species as defined in the ChemApp model file (M4D_Laterite_CFD.cst). The ChemApp species and SysCAD species are mapped using the IPhaseMap.txt file. The IPhaseMap.txt must exist in the CfgFiles folder.
    3. User must have a Licensed copy of ChemApp for SysCAD installed, and have the appropriate SysCAD ChemApp Add-on license to use this ChemApp model project.
    4. Some of the phases are suppressed in this configuration. Unselecting these phases will change the simulation results.
    5. Regarding suppression, some species can only be suppressed if the entire phase is suppressed. In these cases, the suppression of these individual species is deactivated; they can only be suppressed if the entire phase in which they exist is suppressed.
  • Ore Feed
    1. High Mg High Ni ore is blended with the wet ore to achieve a target furnace liquid temperature. The addition of this ore blend has the effect of lowering the silica to magnesia mass ratio, thereby raising the liquidus temperature in the furnace. Blending is accomplished using a PID controller.
  • Dryer & Burner:
    1. The burner is modelled as ChemApp Reactor, using the Enthalpy ChemApp operating mode so that the flame temperature is calculated.
    2. The Dryer is modelled as ChemApp Reactor, using the Target Temperature Method. The energy required by the dryer will be used to determine the fuel input.
    3. The products of combustion (burner) is added to the Dryer, where it is mixed with the wet-ore, as water is evaporated the gas is cooled to the specified dryer temperature.
    4. The fuel input to the burner is controlled using a PID controller. The fuel input is controlled such that the energy required to achieve 105 C operating temperature in the dryer is balanced by the combustion gas addition from the burner.
    5. Some of the water in the wet ore is "locked" away and does not reach its equilibrium state. This is done by using the constrained free energy (CFE) in the dryer for water.
  • Reduction Kiln:
    1. The reduction kiln is modelled as ChemApp reactors, using the fixed T mode.
    2. The amount of Carbon added will influence the degree of calcine metallisation.
    3. Constrained free energy (CFE) is used for Carbon in the Kiln. This accounts for incomplete utilisation of the coal due to reaction/mass transfer kinetics in the kiln.
  • Electric Furnace: this unit is modelled in multiple steps:
    1. A side calculator added using the Phase Formation mode. The purpose of this side calculator is to calculate the precipitation point of olivine. The point at which olivine just starts to precipitate is the theoretical liquidus temperature. See (Calc_Liquidus)
    2. The temperature calculated by the side calculator is then set to the electric furnace, with a degree of superheat added. See (TC_001).
    3. The off gas from the electric furnace contains reduced carbon in the gases. Thus, heat recovery via combustion is simulated by adding air to achieve a target C/O ratio.
    4. The product stream from the electric furnace is separated into molten liquid metal product and molten slag waste phases. This can be done because each ChemApp phase is matched to a SysCAD individual phase via the IPhaseMap.txt mapping.

Included Excel Report

None