SysCAD Documentation - Recent changes [en]

File:Validation pr.png

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File:Validation nd.png

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Draft:Discussion: Dynamic Modelling of Rare Earth Solvent Extraction using SysCAD and PHREEQC

Kevin.Heppner — Wed, 03 Jun 2026 17:13:43 GMT

File:Pr dynamics.png

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File:Nd dynamics.png

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Draft:Discussion: Dynamic Modelling of Rare Earth Solvent Extraction using SysCAD and PHREEQC

Kevin.Heppner — Wed, 03 Jun 2026 15:00:41 GMT

Precipitator3 Data Sections

Merry.Huang — Wed, 03 Jun 2026 03:25:22 GMT

PSD Tab

← Older revision		Revision as of 03:25, 3 June 2026
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	\| AllSolidsDensity\|\| Tick Box \|\| Selecting this will include Non THA Solids in PSD Density		\| AllSolidsDensity\|\| Tick Box \|\| Selecting this will include Non THA Solids in PSD Density
	\|-		\|-
	\| SeedPSD \|\| Tick Box \|\| Selecting this will allow SysCAD to auto generate a small quantity of seed if '''no''' THA solid was found in the Precipitation Feed. ~~(In the case of a Dynamic Model, no THA solid present in the tank contents.)~~ The generated amount will be sufficient to seed a tank and allow precipitation to occur in the tank. When solids returns to the tank via the proper seed streams, the recycled solids will take over and SysCAD will no longer generate any extra solids. See [[Alumina3_Precip_-_Full_PSD#Using the Full PSD model\|Using the Full PSD model]].		\| SeedPSD \|\| Tick Box \|\| Selecting this will allow SysCAD to auto generate a small quantity of seed if '''no''' THA solid was found in the Precipitation Feed. The generated amount will be sufficient to seed a tank and allow precipitation to occur in the tank. When solids returns to the tank via the proper seed streams, the recycled solids will take over and SysCAD will no longer generate any extra solids. See [[Alumina3_Precip_-_Full_PSD#Using the Full PSD model\|Using the Full PSD model]]. <br> This option has been removed from dynamic mode as of {{Removed139\|36313\|\|y}}. However, it remains a valid option for steady-state projects.
	\|-		\|-
	\| Area.Correction \|\| Input \|\| Scaling for nonsphericity. See [[Alumina3_Precip_-_Full_PSD#Area Correction\|Area Correction]]		\| Area.Correction \|\| Input \|\| Scaling for nonsphericity. See [[Alumina3_Precip_-_Full_PSD#Area Correction\|Area Correction]]

Species Configuration

Merry.Huang — Wed, 03 Jun 2026 01:31:04 GMT

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	\|-		\|-
	\| valign="top" \| Species in User Database <br> [[Image:Button Small 2.png]] \|\| valign="top" \| This contains a list of species that are saved in the User Species Database. \|\| valign="top" \| A species '''MUST''' be in the user database to be used in the project.<br>If the user hovers over each species in the list, a pop-up dialog will show the 'long' name for that species.<br>Species that have a tick next to them are included in the project.		\| valign="top" \| Species in User Database <br> [[Image:Button Small 2.png]] \|\| valign="top" \| This contains a list of species that are saved in the User Species Database. \|\| valign="top" \| A species '''MUST''' be in the user database to be used in the project.<br>If the user hovers over each species in the list, a pop-up dialog will show the 'long' name for that species.<br>Species that have a tick next to them are included in the project.
			The species data is stored in the '''project group'''\'''Cfgfiles'''\'''SysCAD.93.db3''' file.
	\|-		\|-
	\| valign="top" \| Species in Project <br> [[Image:Button Small 3.png]]\|\| valign="top" \| This contains a list of species that are available in the project, in the order in which they will be displayed on the Species page in the units. \|\| valign="top" \| Users may add species to this list from either the Hardwired Species list, or from the User Database list. If the user adds a species from the Hardwired species list, then that species will be added to both the Species in Project list and to the User database.<br>Users may also add Text or Page labels to the species list and these will appear on the Species tab in the project.		\| valign="top" \| Species in Project <br> [[Image:Button Small 3.png]]\|\| valign="top" \| This contains a list of species that are available in the project, in the order in which they will be displayed on the Species page in the units. \|\| valign="top" \| Users may add species to this list from either the Hardwired Species list, or from the User Database list. If the user adds a species from the Hardwired species list, then that species will be added to both the Species in Project list and to the User database.<br>Users may also add Text or Page labels to the species list and these will appear on the Species tab in the project.
			The project species list is stored in the '''project group'''\'''Cfgfiles'''\'''xxxxx.cfg''' file.
	\|-		\|-
	\| colspan="3" font style="background: #ebebeb" \|		\| colspan="3" font style="background: #ebebeb" \|

Draft:Discussion: Dynamic Modelling of Rare Earth Solvent Extraction using SysCAD and PHREEQC

Kevin.Heppner — Tue, 02 Jun 2026 18:48:15 GMT

Concentration Profile

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File:Dynamic REE SX Flowsheet.png

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Draft:Discussion: Dynamic Modelling of Rare Earth Solvent Extraction using SysCAD and PHREEQC

Kevin.Heppner — Tue, 02 Jun 2026 12:30:31 GMT

Draft:Discussion: Dynamic Modelling of Rare Earth Solvent Extraction using SysCAD and PHREEQC

Kevin.Heppner — Tue, 02 Jun 2026 12:25:38 GMT

Created page with "# Dynamic REE Solvent Extraction Demo — Model Setup, Tag Management and Bump Testing **Project:** Dynamic REE SX Demo **Model type:** Dynamic **Software:** SysCAD 9.3 **Date:** May 2026 --- ## Contents 1. [Overview](#overview) 2. [Flowsheet Description](#flowsheet-description) 3. [Settler Geometry and Residence Times](#settler-geometry-and-residence-times) 4. [Archiver Setup](#archiver-setup) 5. [Profile Controller Setup](#profile-controller-setup) 6. [Bump T..."

Species Database

Merry.Huang — Sun, 31 May 2026 23:29:43 GMT

← Older revision		Revision as of 23:29, 31 May 2026
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	==Overview==		==Overview==

	~~The~~ SysCAD ~~species database is where the user can~~ define the thermodynamic data for chemical species ~~to be used in the~~ project. ~~The chemical~~ species ~~can be anything from~~ elemental ~~species to~~ pseudo-~~compounds~~.		SysCAD provides a Species Database used to define the thermodynamic and physical property data for chemical species within a project. These species may include elemental substances, defined compounds, and pseudo-components required for process modelling.

	~~There are two Species Database in~~ SysCAD:		SysCAD is designed as a process simulation tool and focuses on providing robust modelling capabilities. It is not intended to be a provider of chemical species property data. As such, comprehensive thermodynamic and physical property data, particularly for specialised or less common compounds, is not supplied with the software.

	#Default.93.db3 - This is the distributed main database, ~~stored~~ in the \SysCADxxx\Base files folder~~. See~~ [[SysCAD_Files#Base_Files_Folder\|BaseFiles Folder]].		Users are responsible for sourcing accurate property data from appropriate references, such as published literature, trusted databases, or experimental results, and entering this data into the Species Database. This ensures that the project database is tailored to the required level of accuracy and is appropriate for the specific application.
	#*~~This database contain some common~~ chemical species for general ~~use~~.
	#*~~We normally do not recommend editing~~ this database as it ~~will~~ be overwritten if SysCAD ~~is re-installed~~ or ~~the~~ BaseFiles ~~are updated. User specified properties will be lost if this file is overwritten~~.		Compounds that are not available in the supplied databases must be created and defined manually by the user.
	#SysCAD.93.db3 - This is the project database, ~~normally one of these files will be~~ created per project group~~. See [[~~Project Structure]].
	#*This database should contain all ~~the~~ chemical species to ~~be used in~~ the project.		There are two Species Databases in SysCAD:
	~~#*User~~ can ~~import data into this~~ database from ~~the~~ Default.93.db3, other SysCAD project databases (SysCAD.93.db3) ~~or other general~~ SysCAD format databases (e.g. NASA_Glenn_Gas.93.db3)~~. It is possible to import~~ from ~~older HSC~~ databases~~. See~~ [[Importing_Species_into_User_Species_Database#Importing_Species_from_HSC_Database\|Importing Data]].
			#Default.93.db3
			#*This is the distributed main database, located in the \SysCADxxx\Base files folder (see [[SysCAD_Files#Base_Files_Folder\|BaseFiles Folder]]).
			#*It contains a selection of commonly used chemical species for general purposes.
			#*Editing this database is not recommended, as it may be overwritten during SysCAD reinstallation or BaseFiles updates, resulting in loss of any user-defined modifications.
			#SysCAD.93.db3
			#*This is the project-specific database, typically created per project or project group (see Project Structure).
			#*This database should contain all chemical species relevant to the project, including any user-defined compounds and associated property data.

			Users can populate the project database by:

			*mporting species from Default.93.db3
			*Importing from other SysCAD project databases (SysCAD.93.db3)
			*Importing from external SysCAD-format databases (e.g. NASA_Glenn_Gas.93.db3)
			*Importing from legacy databases (see [[Importing_Species_into_User_Species_Database#Importing_Species_from_HSC_Database\|Importing Data]])

	== Editing Species Database ==		== Editing Species Database ==

Draft:OLI Solvent Extraction

Daniel.Manche — Thu, 28 May 2026 10:03:02 GMT

Daniel.Manche deleted page Draft:OLI Solvent Extraction content was: "#REDIRECT OLI Solvent Extraction", and the only contributor was "Merry.Huang" (talk)

Draft:Manifold

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Draft:Excel Report

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Draft:Example - 09 Met Dynamics Projects

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Draft:Dynamic Centrifuge Example Project

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Daniel.Manche deleted page Draft:Dynamic Centrifuge Example Project content was: "#REDIRECT Dynamic Centrifuge Example Project", and the only contributor was "Merry.Huang" (talk)

Draft:Discussion: Using SysCAD with Git as Version Control Tool

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Daniel.Manche deleted page Draft:Discussion: Using SysCAD with Git as Version Control Tool content was: "#REDIRECT Draft:Discussion: Using SysCAD with Git as a Version Control Tool", and the only contributor was "Emily.Smyth" (talk)

Draft:Discussion: Quaternary Saturation Diagrams using PHREEQC

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Daniel.Manche deleted page Draft:Discussion: Quaternary Saturation Diagrams using PHREEQC content was: "#REDIRECT Discussion: Ternary Saturation Diagrams using PHREEQC", and the only contributor was "Daniel.Manche" (talk)

Draft:Discussion: Machine Learning driven Process Simulation with SysCAD

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Draft:Discussion: K Values in Multicomponent VLE

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Draft:Discussion: Dynamic Batch Process Modelling

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Draft:Coal Calculator

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Draft:Class - Introduction

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Draft:Class - Defining a Class

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Draft:Basic Pond Model

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Draft:Discussion: Python Optimisation with ChemApp

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Python Example - Optimisation

Daniel.Manche — Thu, 28 May 2026 09:31:50 GMT

← Older revision		Revision as of 09:31, 28 May 2026
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	<syntaxhighlight lang="python">		<syntaxhighlight lang="python">
	[ 4. 110.]		[ 4. 110.]
	~~Optimization~~ terminated successfully.		Optimisation terminated successfully.
	Current function value: 0.002574		Current function value: 0.002574
	Iterations: 44		Iterations: 44

Example - 07 ChemApp Projects

Daniel.Manche — Thu, 28 May 2026 09:31:13 GMT

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	*#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.		*#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.
	*#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.		*#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.
	*#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. Often this is the case in real laterite dryers, not all the free moisture is removed in the dryers, otherwise, dusting rate increases significantly and equipment ~~utilization~~ is compromised.		*#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. Often this is the case in real laterite dryers, not all the free moisture is removed in the dryers, otherwise, dusting rate increases significantly and equipment utilisation is compromised.
	*Reduction Kiln:		*Reduction Kiln:
	*#The reduction kiln is modelled as ChemApp reactors, using the fixed T mode.		*#The reduction kiln is modelled as ChemApp reactors, using the fixed T mode.
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	== Nickel Laterite Smelter Multivariable Optimisation ==		== Nickel Laterite Smelter Multivariable Optimisation ==

	[[File:Example07 CA TCE Ni laterite Optimisation.png\|none\|Ni Laterite Global Multivariable ~~Optimization~~\| 1000 px]]<br>		[[File:Example07 CA TCE Ni laterite Optimisation.png\|none\|Ni Laterite Global Multivariable Optimisation\| 1000 px]]<br>

	'''Project Location'''		'''Project Location'''
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	NOTES:		NOTES:
	#This project requires Python installed in your computer with the following modules: numpy, scipy and pywin32. Follow [[Python Automation - Getting Started\|Python Automation]] link for instructions to install and setup Python to use it with SysCAD.		#This project requires Python installed in your computer with the following modules: numpy, scipy and pywin32. Follow [[Python Automation - Getting Started\|Python Automation]] link for instructions to install and setup Python to use it with SysCAD.
	#This is mainly for demonstration of global multivariable ~~optimization~~ of a SysCAD + ChemApp Project using SysCAD COM Automation with Python, user must have a Licensed copy of ChemApp installed for this project to work. See [[ChemApp Overview]] for more information.		#This is mainly for demonstration of global multivariable optimisation of a SysCAD + ChemApp Project using SysCAD COM Automation with Python, user must have a Licensed copy of ChemApp installed for this project to work. See [[ChemApp Overview]] for more information.
	#This Example is based on the [[Example - 07 ChemApp Projects#Nickel Laterite Smelter\|Nickel Laterite Smelter]] example above with slight modifications to introduce a calculation to a Global Error Function that allows an external Python script to ~~optimize~~ several targets simultaneously by manipulating various input parameters.		#This Example is based on the [[Example - 07 ChemApp Projects#Nickel Laterite Smelter\|Nickel Laterite Smelter]] example above with slight modifications to introduce a calculation to a Global Error Function that allows an external Python script to optimise several targets simultaneously by manipulating various input parameters.
	#Example cst database is based on published data and collated by M4 Dynamics Inc, Canada. (www.m4dynamics.com)		#Example cst database is based on published data and collated by M4 Dynamics Inc, Canada. (www.m4dynamics.com)

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	*The project is configured in the same way as the [[Example - 07 ChemApp Projects#Nickel Laterite Smelter\|Nickel Laterite Smelter]] example.		*The project is configured in the same way as the [[Example - 07 ChemApp Projects#Nickel Laterite Smelter\|Nickel Laterite Smelter]] example.
	*Set points for Nickel Grade, Slag Liquidus Temperature and % of FeO in slag are set in the Process Settings General Controller.		*Set points for Nickel Grade, Slag Liquidus Temperature and % of FeO in slag are set in the Process Settings General Controller.
	[[File:Example07 CA TCE Ni laterite Optimisation Pr Settings.png\|none\|Ni Laterite ~~Optimization~~ Process Settings]]		[[File:Example07 CA TCE Ni laterite Optimisation Pr Settings.png\|none\|Ni Laterite Optimisation Process Settings]]
	*Trend #1 shows the values of target variables, Global Error and control variables. Use Trend #1 to monitor the progress of the optimisation routine.		*Trend #1 shows the values of target variables, Global Error and control variables. Use Trend #1 to monitor the progress of the optimisation routine.

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	TextLabel()		TextLabel()
	TextLabel("Calcine:")		TextLabel("Calcine:")
	Real ~~Ni_metallization~~{@,("Frac","%"),Comment("Ni Degree of reduction to metallic in Calcine")}		Real Ni_metallisation{@,("Frac","%"),Comment("Ni Degree of reduction to metallic in Calcine")}
	Real ~~Fe_metallization~~{@,("Frac","%"),Comment("Fe Degree of reduction to metallic in Calcine")}		Real Fe_metallisation{@,("Frac","%"),Comment("Fe Degree of reduction to metallic in Calcine")}

	TextLabel()		TextLabel()
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	Textlabel()		Textlabel()
	TextLabel("~~Optimization~~")		TextLabel("Optimisation")
	Textlabel()		Textlabel()
	Textlabel("Target Variables")		Textlabel("Target Variables")
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	Real Slag_FeO_SP{i,("Frac","%"),Comment("Slag FeO concentration SP")}<20,25><<23>>		Real Slag_FeO_SP{i,("Frac","%"),Comment("Slag FeO concentration SP")}<20,25><<23>>
	Textlabel()		Textlabel()
	Textlabel("Objective Function (to ~~minimize~~)")		Textlabel("Objective Function (to minimise)")
	Real Global_Error@{Comment("Sum of relative differences between measured and target variables")}		Real Global_Error@{Comment("Sum of relative differences between measured and target variables")}

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	;--- Logic - executed at EVERY step ---		;--- Logic - executed at EVERY step ---
	~~Ni_metallization~~ = ["P_004.Qo.QM.Ni(FCC_M4D#1) (t/h)"]/["P_004.Qo.QEl.Ni (t/h)"]*100		Ni_metallisation = ["P_004.Qo.QM.Ni(FCC_M4D#1) (t/h)"]/["P_004.Qo.QEl.Ni (t/h)"]*100
	~~Fe_metallization~~ = ["P_004.Qo.QM.Fe(FCC_M4D#1) (t/h)"]/["P_004.Qo.QEl.Fe (t/h)"]*100		Fe_metallisation = ["P_004.Qo.QM.Fe(FCC_M4D#1) (t/h)"]/["P_004.Qo.QEl.Fe (t/h)"]*100
	Ni_grade = ["P_006.Qo.MF.Ni(LiqMetal_M4D) (%)"]		Ni_grade = ["P_006.Qo.MF.Ni(LiqMetal_M4D) (%)"]
	Slag_Silica_to_Mag = ["P_007.Qo.QM.SiO2(SLAG_M4D#1) (t/h)"]/["P_007.Qo.QM.MgO(SLAG_M4D#1) (t/h)"]		Slag_Silica_to_Mag = ["P_007.Qo.QM.SiO2(SLAG_M4D#1) (t/h)"]/["P_007.Qo.QM.MgO(SLAG_M4D#1) (t/h)"]
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	""" ===============================================================		""" ===============================================================
	Script created by KWA Kenwalt		Script created by KWA Kenwalt
	Global ~~Optimization~~ of Nickel Laterite Example		Global Optimisation of Nickel Laterite Example

	=============================================================== """		=============================================================== """
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	SysCADSimulator93.Application		SysCADSimulator93.Application
	[25. 3. 20.]		[25. 3. 20.]
	~~Optimization~~ terminated successfully.		Optimisation terminated successfully.
	Current function value: 0.000007		Current function value: 0.000007
	Iterations: 39		Iterations: 39
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	''' Brief Project Description '''		''' Brief Project Description '''

	*The model consists of an electric furnace for a Nickel laterite smelter. This is simulated using a Gibbs Free Energy ~~Minimization~~ (GFEM) reactor.		*The model consists of an electric furnace for a Nickel laterite smelter. This is simulated using a Gibbs Free Energy Minimisation (GFEM) reactor.
	*The feed to the furnace is a typical partially reduced calcine, similar to that produced by a reduction kiln as shown in [[Example - 07 ChemApp Projects#Nickel Laterite Smelter\|Nickel Laterite Smelter]]		*The feed to the furnace is a typical partially reduced calcine, similar to that produced by a reduction kiln as shown in [[Example - 07 ChemApp Projects#Nickel Laterite Smelter\|Nickel Laterite Smelter]]
	*The electric furnace is expected to produce a gas phase (mainly CO), crude liquid metal (ferronickel) and slag. The liquid metal and slag phases are highly non-ideal solutions and excess energy of mixing contributions are necessary to be taken into account to model the distribution of species properly.		*The electric furnace is expected to produce a gas phase (mainly CO), crude liquid metal (ferronickel) and slag. The liquid metal and slag phases are highly non-ideal solutions and excess energy of mixing contributions are necessary to be taken into account to model the distribution of species properly.
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	*By setting the activity coefficients for non ideal solutions in the GFEM reactor we can capture contributions of excess Gibbs energy of mixing for complex non-ideal solutions.		*By setting the activity coefficients for non ideal solutions in the GFEM reactor we can capture contributions of excess Gibbs energy of mixing for complex non-ideal solutions.
	*The results obtained show a very good agreement between the two calculations engines (GFEM vs ChemApp side calc). However, GFEM is substantially faster in convergence than a ChemApp model, even in this case, where the ChemApp sidecalc is triggered only once instead of at each iteration. For more complex flowsheets, requiring numerous iterations, it might not be possible to calculate the ChemApp sidecalc just once at the start of the simulation. In these cases, it is possible to select to calculate the sidecalc every N iterations or potentially trigger a calculation through PGM by monitoring the input feed to the sidecalc and excute only once a predefine threshold is surpassed.		*The results obtained show a very good agreement between the two calculations engines (GFEM vs ChemApp side calc). However, GFEM is substantially faster in convergence than a ChemApp model, even in this case, where the ChemApp sidecalc is triggered only once instead of at each iteration. For more complex flowsheets, requiring numerous iterations, it might not be possible to calculate the ChemApp sidecalc just once at the start of the simulation. In these cases, it is possible to select to calculate the sidecalc every N iterations or potentially trigger a calculation through PGM by monitoring the input feed to the sidecalc and excute only once a predefine threshold is surpassed.
	*It is important to note that the good agreement achieved in Gibbs Energy ~~minimization~~ between the two models is only possible because the same thermodynamic data for compounds is being used by the SysCAD user database and the ChemApp thermodynamic input file (cst). If this is not the case, the user might expect larger discrepancies between the models.		*It is important to note that the good agreement achieved in Gibbs Energy minimisation between the two models is only possible because the same thermodynamic data for compounds is being used by the SysCAD user database and the ChemApp thermodynamic input file (cst). If this is not the case, the user might expect larger discrepancies between the models.

	== Demo Copper Smelter Part1 ==		== Demo Copper Smelter Part1 ==

Template:TCE Tab Page

Kevin.Heppner — Wed, 27 May 2026 15:21:30 GMT

Undo revision 84633 by Kevin.Heppner (talk)

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