SysCAD Documentation - User contributions [en]

Tie

2013-12-07T17:29:00Z

Ab.Rijkeboer: /* OperatingP */ The elevation can be changed on the Enironment tab page rather than on the Species tab page

'''Navigation: [[Models]] -> [[Models#General Models|General Models]]'''
----

== General Description ==

This is one of the most commonly used and most generic models in SysCAD. It is primarily used as a mixer and / or splitter. In addition, a number of sub-models are available which makes this generic model very flexible so that it can be used to model many process units

The '''tie''' is used to join and / or split two or more streams. When streams are mixed in a tie, a homogeneous product is produced.

=== Available Sub-Models ===

# [[Makeup Block (MU)|Makeup Blocks]] (one or more) may be enabled in a Tie. This allows the user to control the addition of streams such as reagents, water, air, etc to the Tie, often without having to use a PID or General controller.
# The [[Reaction Block (RB)]] allows the user to configure any number of reactions in the Tie.
# The [[Environmental Heat Exchanger (EHX)|Environmental Heat Exchanger Block]] allows the user to add or remove energy from the Tie using a number of different methods.
# The [[Evaporation Block (Evap)|Evaporation Block]] allows the user to set the evaporation of either water only or a mixture of water and all other species that are specified as both liquid and vapour. This sub-model is only available in SysCAD 9.2 Build 133 or later.
# The [[Vapour Liquid Equilibrium (VLE)|Vapour Liquid Equilibrium Block]] will attempt to ensure that the vapours and liquids of the selected specie will be in equilibrium in the Tie. For example, if the equilibrium specie is water and the tie is at atmospheric pressure, then SysCAD will maintain the temperature at, or below, the saturated temperature of 99.97°C by evaporating water if required.
# The [[General Model (GM)]] may be enabled in the Tie, allowing the user to control the split between the outgoing stream flows.
# The [[General Model Thermal (GMT)|Thermal Split]] may also be enabled '''IF''' the General Model is enabled. This option is used to adjust the temperatures of the outgoing streams from the unit.

=== Model Procedures ===

[[Model Procedures]] allows the user to implement code directly within the Tie. To enable this, on the '''[[Common Data Sections#Common Data on Info Tab Page|Info]]''' tab page tick the "Procedures" tickbox.

'''Note:'''
 If the Split Flows or '''GM''' model is not used, the tie will split the incoming material equally between all of the outgoing streams.

== Diagram ==

[[Image:Models-Tie-image001.gif|center]]

The diagram shows the default drawing of the tie, with a number of connecting streams.

== Inputs and Outputs ==

{| border="1" cellpadding="5" cellspacing="0"
|-
| valign="top" rowspan="2" | '''Label''' || valign="top" rowspan="2" | '''Required Optional''' || valign="top" rowspan="2" | '''Input Output ''' || colspan="2" | '''Number of Connections''' || valign="top" rowspan="2" | '''Description'''
|-
| '''Min''' || '''Max. '''
|-
| No Label Input || 1 Required || In ||1 || 20 || General purpose inlet
|-
| No Label Output || 1 Required || Out ||1 || 20 || General purpose outlet
|-
|}

== Flowchart ==

[[Image:Model-Tie-flowchart.png|center]]

== Data Sections ==

=== Summary of Data Sections ===

# '''[[#Tie Page|Tie-1]]''' tab - Contains general information relating to the unit.
# '''[[RB]]''' - Optional tab, only visible if the Reactions are enabled in the Evaluation Block.
# '''[[EHX]]''' - Optional tab, only visible if the EnvironHX is enabled in the Evaluation Block.
# '''[[Evap]]''' - Optional tab that is visible if Evaporator is enabled.
# '''[[VLE]]''' - Optional tab, only visible if the VLEquilibrium is enabled in the Evaluation Block.
# '''[[MU]]''' - Optional tab, or multiple tabs if more than 1 Makeup is selected. Only visible if one of more Makeup is enabled in the Evaluation Block.
# [[General Model (GM)|GM]] - Optional tab, only visible if ''SplitFlows'' (or ''General Model'') is enabled.
# [[General Model Thermal (GMT)|GMT]] - Optional tab, only visible if ''SplitThermal'' (or ''General Thermal Model'') is enabled.
#* This may only be enabled after GM has been enabled.
# [[Material Flow Section|QFeed]] - Optional tab, only visible if ''ShowQFeed'' is enabled. This page shows the properties of the mixed stream as the feed to the tie.
#* This is before any Evaluation Block models are evaluated.
# [[Material Flow Section|QProd]] - Optional tab, only visible if ''ShowQProd'' is selected. This page shows the properties of the mixed output stream as the product before separation to outlet streams of the tie.
#* This is after any Evaluation Block models are evaluated, but before flow splits.
# '''[[Common Data Sections#Common Data on Info Tab Page|Info]]''' tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
# '''[[Links Table|Links]]''' tab - only visible in SysCAD 9.2, contains a summary table for all the input and output streams.
# '''[[Audit]]''' tab - contains summary information required for Mass and Energy balance. See [[Model Examples]] for enthalpy calculation Examples.

===Tie Page===
'''Class: Tie-1 The first tab page in the access window will have this name.'''

{| border="1" cellpadding="5" cellspacing="0"
|-
! Symbol / Tag || Input / Calc || Description'''
|-
| colspan="4" |
'''[[Common First Data Section]]'''
|-
| colspan="3" font style="background: #ebebeb" |

=== Operating Pressure ===
|-
|Pressure / P ||font style="background: #ebebeb"|Calc ||The calculated pressure at the tie
|-
| colspan="3" font style="background: #ebebeb" |
=== OperatingP ===
|-
| valign="top" rowspan="5" |
Method
| |
Atmospheric
| |
Outlet streams will be at Atmospheric Pressure. The atmospheric pressure is calculated by SysCAD based on the user defined elevation (default elevation is at sea level = 101.325 kPa). The elevation can be changed on the [[View Commands#Environment tab page|Environment tab page]] of the Plant Model.
|-
| AutoDetect
| |
This option is only available in SysCAD 9.2 Build 133 or later. If there are any liquids AND no vapours present in the feed, outlet streams will take the highest pressure of the feeds. Else (eg. some vapours present) outlet streams will take the lowest pressure of the feeds.
|-
| LowestFeed
| |
Outlet streams will take the lowest pressure of the feeds.
|-
| HighestFeed
| |
Outlet streams will take the highest pressure of the feeds.
|-
| RequiredP
| |
Outlet streams will be at the user specified pressure.
|-
| IgnoreLowQm || Tick Box || This option is only visible if the '''AutoDetect''', '''LowestFeed''' or '''HighestFeed''' methods are chosen. When calculating the outlet pressure and temperature of the tank, SysCAD will ignore the low flow feed streams should this option be selected. The low flow limit is set in the field below.
|-
| LowQmFrac || Input || This field is only visible if the '''IgnoreLowQm''' option is selected. This is the amount any stream contributes to the total flow. For example, if the total feed to the tank is 10 kg/s, and this field is set to 1%. Then any feed streams with less than 0.1 kg/s will be ignored in the pressure calculations.
|-
| Reqd || Input || This field is only visible if the '''RequiredP''' method is chosen. This is user specified pressure.
|-
| Result ||font style="background: #ebebeb"| Display || The actual pressure used for the sum of the feeds which will also be the outlet pressure (unless further model options change the pressure).
|-
| colspan="3" font style="background: #ebebeb" |

=== EB (Flow Evaluation Block) ===
|-
| valign="top" | EvalSequence ||font style="background: #ebebeb"|Calc ||The sequence in which the sub models (which are part of the evaluation blocks) will be calculated. The sequence is determined by the priority selection for the individual sub-models. If none are selected, the default evaluation sequence is MU,RB,EHX,VLE.
|-
| Makeups || Input || The number of makeup blocks required. Extra dropdown options Makeup1, Makeup2, etc will be added to allow these to be switched on.
|-
| Makeup1 || List || This can be used to switch on the [[Makeup Block (MU)]]. If this is 'On' then the associated page, MU1 becomes visible and may be configured. '''Note''': This field is only visible if the entry for 'Makeups' is greater then 0.
|-
| Reactions || List || This can be used to switch on the [[Reaction Block (RB)]]. If this is 'On' then the associated page, RB becomes visible and may be configured. '''Note''': The user does not have to configure a reaction file, even if this block is checked.
|-
| EnvironHX || List || This can be used to switch on the [[Environmental Heat Exchanger (EHX)]]. If this is 'On' then the associated page, EHX may become visible and may be configured. '''Note''': The user does not have to configure an environmental heat exchange, even if this block is checked.
|-
| valign="top" | Evaporation || List || This can be used to switch on the [[Evaporation Block (Evap)]]. If this is 'On' then the associated page, Evap may become visible and may be configured. '''Note''': The user does not have to configure an evaporator, even if this block is checked. This sub-model is only available in SysCAD 9.2 Build 133 or later.
|-
| VLEquilibrium || List || This can be used to switch on [[Vapour Liquid Equilibrium (VLE)]]. If this is 'On' then the associated page, VLE becomes visible and may be configured. '''Note''': This option may automatically adjust the species make-up.
|-
| colspan="3" font style="background: #ebebeb" |

=== Options ===
|-
| valign="top" | SplitFlows or General_Model || Tick Box || This can be used to enable the [[General Model (GM)]]. If this box is checked then the associated page, GM, becomes visible and may be configured. 
'''Notes'''
# This option is used to adjust the out going streams from the unit.
# If the SplitFlows option is '''Not''' enabled, then the flow out of the tie will be split evenly between all of the outgoing streams.
# This may not be changed while the model is solving.
|-
| valign="top" | ThermalSplit || Tick Box || This can be used to enable the [[General Model Thermal (GMT)]]. If this box is checked then the associated page, GMT, becomes visible and may be configured. '''Note''': This option is used to adjust the temperatures of the out going streams from the unit. Only available if GM is selected. (Not available while the model is solving.)
|-
| ShowQFeed || Tick Box || QFeed and associated tab pages (eg Qm) will become visible, showing the properties of the combined feed stream. See [[Material Flow Section]]. This will be prior to any sub-model (eg reactions) actions.
|-
| ShowQProd || Tick Box || QProd and associated tab pages (eg Qm) will become visible, showing the properties of the products. See [[Material Flow Section]]. This will be after the actions of any sub-models and before any flow splits with the [[GM]] model.
|}

'''Demands Table: (Only visible if connected pipes are in demand mode)'''

{| border="1" cellpadding="5" cellspacing="0"
|-
! Width=400|'''Demands''' || Width=400|'''Demand''' || Width=400|'''Ft.Demand''' || Width=400|'''Actual'''
|-
| colspan="4" font style="background: #ebebeb" | '''Feeds'''
|-
|stream name (n) || The amount of flow required to entering the Tie, this is based on the amount demanded by downstream units || Flash Train demand, only valid if the unit is part of the flash train || The actual flow into the Tie.
|-
| colspan="4" font style="background: #ebebeb" | '''Products'''
|-
|stream name (n) || The amount of flow distributed by the tie, this amount is being demanded by downstream units || Flash Train demand, only valid if the unit is part of the flash train || The actual flow exiting the tie.
|-
|}

== Adding this Model to a Project ==

''' Insert into Configuration file '''

Sort either by DLL or Group.

{|border="0" cellpadding="5" cellspacing="0"
|-
| |
 
| |
'''DLL:'''
| |
Basic1.dll
| |
<nowiki>→</nowiki>
| |
Units/Links
| |
<nowiki>→</nowiki>
| |
Process: Tie(1)
|-
| |
or
| |
'''Group:'''
| |
General
| |
<nowiki>→</nowiki>
| |
Units/Links
| |
<nowiki>→</nowiki>
| |
Process: Tie(1)
|}

See [[Project Configuration (cfg File)#Model Selection|Project Configuration]] for more information on adding models to the configuration file.

''' Insert into Project '''

{|border="0" cellpadding="5" cellspacing="0"
|-
| |
 
| |
Insert Unit
| |
<nowiki>→</nowiki>
| |
Process
| |
<nowiki>→</nowiki>
| |
Tie(1)
|}

See [[Insert Graphics Commands#Insert Unit|Insert Unit]] for general information on inserting units.

== Hints and Comments ==

# If the user configures the GM, and then at a later stage adds or removes a stream (input or output), this may have an impact on the GM configuration. It is recommended that the user check the GM every time a stream change is made.
# A tie can be used to break the demand calculation between units in a [[Flash Train]]. If the tie is inserted between units, the Flash train will be broken. However, if the user switches on the GM and ''General'' is selected for ''Option'', then the Flash Train will be formed again.
# In Steady State, the tie can be used with [[Demand]] where one of the input streams must be traced back to a single demand source.
# If the user 'Resets' or uses the 'Empty Process' SetState option, then all connecting flanges will also be set to zero flow.
# In SysCAD 9.1 when using the Saturated method for PBPress and there are any sub-model actions such as EHX or RB, then the tank outlet conditions may not necessarily be at Saturated conditions.

Tie

2013-12-07T16:55:40Z

Ab.Rijkeboer: /* OperatingP */ Changing the elevation is done on the Environment tab page rather on than the Species tab page.

'''Navigation: [[Models]] -> [[Models#General Models|General Models]]'''
----

== General Description ==

This is one of the most commonly used and most generic models in SysCAD. It is primarily used as a mixer and / or splitter. In addition, a number of sub-models are available which makes this generic model very flexible so that it can be used to model many process units

The '''tie''' is used to join and / or split two or more streams. When streams are mixed in a tie, a homogeneous product is produced.

=== Available Sub-Models ===

# [[Makeup Block (MU)|Makeup Blocks]] (one or more) may be enabled in a Tie. This allows the user to control the addition of streams such as reagents, water, air, etc to the Tie, often without having to use a PID or General controller.
# The [[Reaction Block (RB)]] allows the user to configure any number of reactions in the Tie.
# The [[Environmental Heat Exchanger (EHX)|Environmental Heat Exchanger Block]] allows the user to add or remove energy from the Tie using a number of different methods.
# The [[Evaporation Block (Evap)|Evaporation Block]] allows the user to set the evaporation of either water only or a mixture of water and all other species that are specified as both liquid and vapour. This sub-model is only available in SysCAD 9.2 Build 133 or later.
# The [[Vapour Liquid Equilibrium (VLE)|Vapour Liquid Equilibrium Block]] will attempt to ensure that the vapours and liquids of the selected specie will be in equilibrium in the Tie. For example, if the equilibrium specie is water and the tie is at atmospheric pressure, then SysCAD will maintain the temperature at, or below, the saturated temperature of 99.97°C by evaporating water if required.
# The [[General Model (GM)]] may be enabled in the Tie, allowing the user to control the split between the outgoing stream flows.
# The [[General Model Thermal (GMT)|Thermal Split]] may also be enabled '''IF''' the General Model is enabled. This option is used to adjust the temperatures of the outgoing streams from the unit.

=== Model Procedures ===

[[Model Procedures]] allows the user to implement code directly within the Tie. To enable this, on the '''[[Common Data Sections#Common Data on Info Tab Page|Info]]''' tab page tick the "Procedures" tickbox.

'''Note:'''
 If the Split Flows or '''GM''' model is not used, the tie will split the incoming material equally between all of the outgoing streams.

== Diagram ==

[[Image:Models-Tie-image001.gif|center]]

The diagram shows the default drawing of the tie, with a number of connecting streams.

== Inputs and Outputs ==

{| border="1" cellpadding="5" cellspacing="0"
|-
| valign="top" rowspan="2" | '''Label''' || valign="top" rowspan="2" | '''Required Optional''' || valign="top" rowspan="2" | '''Input Output ''' || colspan="2" | '''Number of Connections''' || valign="top" rowspan="2" | '''Description'''
|-
| '''Min''' || '''Max. '''
|-
| No Label Input || 1 Required || In ||1 || 20 || General purpose inlet
|-
| No Label Output || 1 Required || Out ||1 || 20 || General purpose outlet
|-
|}

== Flowchart ==

[[Image:Model-Tie-flowchart.png|center]]

== Data Sections ==

=== Summary of Data Sections ===

# '''[[#Tie Page|Tie-1]]''' tab - Contains general information relating to the unit.
# '''[[RB]]''' - Optional tab, only visible if the Reactions are enabled in the Evaluation Block.
# '''[[EHX]]''' - Optional tab, only visible if the EnvironHX is enabled in the Evaluation Block.
# '''[[Evap]]''' - Optional tab that is visible if Evaporator is enabled.
# '''[[VLE]]''' - Optional tab, only visible if the VLEquilibrium is enabled in the Evaluation Block.
# '''[[MU]]''' - Optional tab, or multiple tabs if more than 1 Makeup is selected. Only visible if one of more Makeup is enabled in the Evaluation Block.
# [[General Model (GM)|GM]] - Optional tab, only visible if ''SplitFlows'' (or ''General Model'') is enabled.
# [[General Model Thermal (GMT)|GMT]] - Optional tab, only visible if ''SplitThermal'' (or ''General Thermal Model'') is enabled.
#* This may only be enabled after GM has been enabled.
# [[Material Flow Section|QFeed]] - Optional tab, only visible if ''ShowQFeed'' is enabled. This page shows the properties of the mixed stream as the feed to the tie.
#* This is before any Evaluation Block models are evaluated.
# [[Material Flow Section|QProd]] - Optional tab, only visible if ''ShowQProd'' is selected. This page shows the properties of the mixed output stream as the product before separation to outlet streams of the tie.
#* This is after any Evaluation Block models are evaluated, but before flow splits.
# '''[[Common Data Sections#Common Data on Info Tab Page|Info]]''' tab - contains general settings for the unit and allows the user to include documentation about the unit and create Hyperlinks to external documents.
# '''[[Links Table|Links]]''' tab - only visible in SysCAD 9.2, contains a summary table for all the input and output streams.
# '''[[Audit]]''' tab - contains summary information required for Mass and Energy balance. See [[Model Examples]] for enthalpy calculation Examples.

===Tie Page===
'''Class: Tie-1 The first tab page in the access window will have this name.'''

{| border="1" cellpadding="5" cellspacing="0"
|-
! Symbol / Tag || Input / Calc || Description'''
|-
| colspan="4" |
'''[[Common First Data Section]]'''
|-
| colspan="3" font style="background: #ebebeb" |

=== Operating Pressure ===
|-
|Pressure / P ||font style="background: #ebebeb"|Calc ||The calculated pressure at the tie
|-
| colspan="3" font style="background: #ebebeb" |
=== OperatingP ===
|-
| valign="top" rowspan="5" |
Method
| |
Atmospheric
| |
Outlet streams will be at Atmospheric Pressure. The atmospheric pressure is calculated by SysCAD based on the user defined elevation (default elevation is at sea level = 101.325 kPa). The elevation can be changed on the [[View Commands#Environment tab page|Species tab page]] of the Plant Model.
|-
| AutoDetect
| |
This option is only available in SysCAD 9.2 Build 133 or later. If there are any liquids AND no vapours present in the feed, outlet streams will take the highest pressure of the feeds. Else (eg. some vapours present) outlet streams will take the lowest pressure of the feeds.
|-
| LowestFeed
| |
Outlet streams will take the lowest pressure of the feeds.
|-
| HighestFeed
| |
Outlet streams will take the highest pressure of the feeds.
|-
| RequiredP
| |
Outlet streams will be at the user specified pressure.
|-
| IgnoreLowQm || Tick Box || This option is only visible if the '''AutoDetect''', '''LowestFeed''' or '''HighestFeed''' methods are chosen. When calculating the outlet pressure and temperature of the tank, SysCAD will ignore the low flow feed streams should this option be selected. The low flow limit is set in the field below.
|-
| LowQmFrac || Input || This field is only visible if the '''IgnoreLowQm''' option is selected. This is the amount any stream contributes to the total flow. For example, if the total feed to the tank is 10 kg/s, and this field is set to 1%. Then any feed streams with less than 0.1 kg/s will be ignored in the pressure calculations.
|-
| Reqd || Input || This field is only visible if the '''RequiredP''' method is chosen. This is user specified pressure.
|-
| Result ||font style="background: #ebebeb"| Display || The actual pressure used for the sum of the feeds which will also be the outlet pressure (unless further model options change the pressure).
|-
| colspan="3" font style="background: #ebebeb" |

=== EB (Flow Evaluation Block) ===
|-
| valign="top" | EvalSequence ||font style="background: #ebebeb"|Calc ||The sequence in which the sub models (which are part of the evaluation blocks) will be calculated. The sequence is determined by the priority selection for the individual sub-models. If none are selected, the default evaluation sequence is MU,RB,EHX,VLE.
|-
| Makeups || Input || The number of makeup blocks required. Extra dropdown options Makeup1, Makeup2, etc will be added to allow these to be switched on.
|-
| Makeup1 || List || This can be used to switch on the [[Makeup Block (MU)]]. If this is 'On' then the associated page, MU1 becomes visible and may be configured. '''Note''': This field is only visible if the entry for 'Makeups' is greater then 0.
|-
| Reactions || List || This can be used to switch on the [[Reaction Block (RB)]]. If this is 'On' then the associated page, RB becomes visible and may be configured. '''Note''': The user does not have to configure a reaction file, even if this block is checked.
|-
| EnvironHX || List || This can be used to switch on the [[Environmental Heat Exchanger (EHX)]]. If this is 'On' then the associated page, EHX may become visible and may be configured. '''Note''': The user does not have to configure an environmental heat exchange, even if this block is checked.
|-
| valign="top" | Evaporation || List || This can be used to switch on the [[Evaporation Block (Evap)]]. If this is 'On' then the associated page, Evap may become visible and may be configured. '''Note''': The user does not have to configure an evaporator, even if this block is checked. This sub-model is only available in SysCAD 9.2 Build 133 or later.
|-
| VLEquilibrium || List || This can be used to switch on [[Vapour Liquid Equilibrium (VLE)]]. If this is 'On' then the associated page, VLE becomes visible and may be configured. '''Note''': This option may automatically adjust the species make-up.
|-
| colspan="3" font style="background: #ebebeb" |

=== Options ===
|-
| valign="top" | SplitFlows or General_Model || Tick Box || This can be used to enable the [[General Model (GM)]]. If this box is checked then the associated page, GM, becomes visible and may be configured. 
'''Notes'''
# This option is used to adjust the out going streams from the unit.
# If the SplitFlows option is '''Not''' enabled, then the flow out of the tie will be split evenly between all of the outgoing streams.
# This may not be changed while the model is solving.
|-
| valign="top" | ThermalSplit || Tick Box || This can be used to enable the [[General Model Thermal (GMT)]]. If this box is checked then the associated page, GMT, becomes visible and may be configured. '''Note''': This option is used to adjust the temperatures of the out going streams from the unit. Only available if GM is selected. (Not available while the model is solving.)
|-
| ShowQFeed || Tick Box || QFeed and associated tab pages (eg Qm) will become visible, showing the properties of the combined feed stream. See [[Material Flow Section]]. This will be prior to any sub-model (eg reactions) actions.
|-
| ShowQProd || Tick Box || QProd and associated tab pages (eg Qm) will become visible, showing the properties of the products. See [[Material Flow Section]]. This will be after the actions of any sub-models and before any flow splits with the [[GM]] model.
|}

'''Demands Table: (Only visible if connected pipes are in demand mode)'''

{| border="1" cellpadding="5" cellspacing="0"
|-
! Width=400|'''Demands''' || Width=400|'''Demand''' || Width=400|'''Ft.Demand''' || Width=400|'''Actual'''
|-
| colspan="4" font style="background: #ebebeb" | '''Feeds'''
|-
|stream name (n) || The amount of flow required to entering the Tie, this is based on the amount demanded by downstream units || Flash Train demand, only valid if the unit is part of the flash train || The actual flow into the Tie.
|-
| colspan="4" font style="background: #ebebeb" | '''Products'''
|-
|stream name (n) || The amount of flow distributed by the tie, this amount is being demanded by downstream units || Flash Train demand, only valid if the unit is part of the flash train || The actual flow exiting the tie.
|-
|}

== Adding this Model to a Project ==

''' Insert into Configuration file '''

Sort either by DLL or Group.

{|border="0" cellpadding="5" cellspacing="0"
|-
| |
 
| |
'''DLL:'''
| |
Basic1.dll
| |
<nowiki>→</nowiki>
| |
Units/Links
| |
<nowiki>→</nowiki>
| |
Process: Tie(1)
|-
| |
or
| |
'''Group:'''
| |
General
| |
<nowiki>→</nowiki>
| |
Units/Links
| |
<nowiki>→</nowiki>
| |
Process: Tie(1)
|}

See [[Project Configuration (cfg File)#Model Selection|Project Configuration]] for more information on adding models to the configuration file.

''' Insert into Project '''

{|border="0" cellpadding="5" cellspacing="0"
|-
| |
 
| |
Insert Unit
| |
<nowiki>→</nowiki>
| |
Process
| |
<nowiki>→</nowiki>
| |
Tie(1)
|}

See [[Insert Graphics Commands#Insert Unit|Insert Unit]] for general information on inserting units.

== Hints and Comments ==

# If the user configures the GM, and then at a later stage adds or removes a stream (input or output), this may have an impact on the GM configuration. It is recommended that the user check the GM every time a stream change is made.
# A tie can be used to break the demand calculation between units in a [[Flash Train]]. If the tie is inserted between units, the Flash train will be broken. However, if the user switches on the GM and ''General'' is selected for ''Option'', then the Flash Train will be formed again.
# In Steady State, the tie can be used with [[Demand]] where one of the input streams must be traced back to a single demand source.
# If the user 'Resets' or uses the 'Empty Process' SetState option, then all connecting flanges will also be set to zero flow.
# In SysCAD 9.1 when using the Saturated method for PBPress and there are any sub-model actions such as EHX or RB, then the tank outlet conditions may not necessarily be at Saturated conditions.

Stream Properties using Standard Method

2013-12-05T11:26:13Z

Ab.Rijkeboer: /* Introduction */

'''Navigation: [[Models]] -> [[Models#Examples|Examples]] -> [[Model Examples]]'''

----

== Introduction ==

Given the following stream make up at '''25°C''' and '''atmospheric pressure''', stream properties are calculated in SysCAD using the Standard specie model, primarily a mass weighted mean method. These calculations are illustrated using the example below:

'''Table 1 Stream Make Up'''

{| border="1" cellpadding="5" cellspacing="0"
|-
! Stream Make Up !! Mass Flow !! Mass Frac !! Mole Flow
|-
!   !! kg/h !! wt Frac !! kmol/h
|-
| CaCO3(s) || 200.00 || 0.20 || 1.998
|-
| SiO2(s) || 300.00 || 0.30 || 4.993
|-
| H2O(l) || 400.00 || 0.40 || 22.203
|-
| H2SO4(aq) || 80.00 || 0.08 || 0.816
|-
| CO2(g) || 10.00 || 0.01 || 0.227
|-
| N2(g) || 10.00 || 0.01 || 0.357
|-
! Total !! 1000.00 !! 1.00 !! 30.594
|}

'''Table 2 Component Data entered into the SysCAD Specie Database'''.

{| border="1" cellpadding="5" cellspacing="0"
|-
! Component || Density (kg/m3|| Hf at 25 (J/mol) || Cp Equation (kJ/kmol.K) || Temp Range (K)
|-
| CaCO3(s) ||2650 || -1208352 || HTE_Cp(-9122, 23.8351, 3.2146, 5.1569) || 298 - 1200
|-
| SiO2(s) || 2650 || -911550 || HTE_Cp(-8654, 19.1651, -0.5456, 8.8977) || 298 - 2000
|-
| H2SO4(aq) || 1841 || -886513 || HTE_Cp(-7762, 19.1799, 23.2471, -0.0679) || 298 - 500
|-
| CO2(g) || 1.8 || -393505.213 || Poly_Cp(19.7961, 0.07344, -5.600221e-05, 1.71541e-08) || 298.15 - 1000
|-
| N2(g) || 1.15 || 0 || Poly_Cp(31.1513, -0.0135659, 2.67968e-05, -1.16817e-08) || 298 - 1000
|}

'''Note:'''
 Properties for H2O are NOT entered by the user - these values are calculated within SysCAD. See [[Water and Steam Properties]].

From [[Species Table - Thermodynamic Data#Heat Capacity (Cp)|Heat Capacity (Cp)]], we will find the Cp equation formats for the HTE_Cp and Poly_Cp as follows:

HTE_Cp(a,b,c,d) :

:<math>\mathbf{\mathit{C_p = 4.186*\left (b+2*c.10^{-3}*T-\frac{d.10^5}{T^2} \right )}}</math>

Poly_Cp(a,b,c,d):

:<math>\mathbf{\mathit{C_p = a+b*T+c*T^2+d*T^3}}</math>

The Cp values for each individual component are calculated at the specified temperature, in K, using the above equations, and Enthalpies ('Hs') are calculated by integrating the above equations from Reference temperature 273.15K to the specified temperature. The results of these calculations are presented in Table 3. (Note that since the reference temperature of 273.15K is less than Ts (Start Temperature) of 298.15K, to calculate Hs the Cp at 298.15K will be multiplied by (298.15-273.15).See [[Species Table - Thermodynamic Data#Heat Capacity (Cp)|Heat Capacity (Cp)]] for more information.)

'''Table 3 ''Component Properties Summary'' at 25°C and 1 Atmospheric Pressure'''

{| border="1" cellpadding="5" cellspacing="0"
|-
! Component Properties !! MW kg/kgmol !! Density kg/m3 !! Hf at 25°C kJ/kg !! Hs kJ/kg !! Cp kJ/kg.C
|-
| CaCO3(s) || 100.09 || 2650.00 || -12072.99 || 20.85 || 0.83
|-
| SiO2(s) || 60.08 || 2650.00 || -15171.18 || 15.36 || 0.62
|-
| H2O(l) || 18.02 || 997.04 || -15865.97 || 104.87 || 4.18
|-
| H2SO4(aq) || 98.08 || 1841.00 || -9038.72 || 35.33 || 1.41
|-
| CO2(g) || 44.01 || 1.80 || -8941.31 || 21.11 || 0.84
|-
| N2(g) || 28.01 || 1.15 || 0.00 || 26.04 || 1.04
|}

'''Notes:'''
# The user specifies properties of individual compounds in the SysCAD specie database.
# Hs and Cp values are derived from the Cp equations.
# The individual component properties at different Temperature and Pressures can be obtained via the menu command '''View''' -- '''Species Data'''.

'''Table 4 Stream Properties Summary'''

{| border="1" cellpadding="5" cellspacing="0"
|-
!  ||  ||  || 0°C
! colspan="3" | 25°C, 1 atm
! colspan="3" | 50°C, 1 atm
|-
! Stream Properties || MW || Density || Hs || Hf || Hs || Cp || Hf || Hs || Cp
|-
!  || kg/kgmol || kg/m3 || kJ/kg || kJ/kg || kJ/kg ||kJ/kg.C || kJ/kg || kJ/kg || kJ/kg.C
|-
! Total || 32.69 || 67.00 || 0 || -14124.85 || 54.02 || 2.16 || -14070.42 || 108.46 || 2.20
|-
|| Solid Phase || 71.52 || 2650.00 ||0 || - || 17.56 || 0.70 || - || 36.15 || 0.78
|-
|| Liquid Phase || 20.85 || 1079.53 || 0 || - || 93.28 || 3.72 || - || 186.34 || 3.73
|-
|| Vapour Phase || 34.24 || 1.40 || 0 || - || 23.58 || 0.94 || - || 47.31 || 0.96
|-
|| Slurry (Sol + Liq) || 32.66 || 1547.40 || 0 || - || 54.65 || 2.18 || - || 109.71 || 2.22
|}

The methods used to calculate these values are shown in the following headings:

== Stream Molecular Weight ==

<math>Stream Molecular Weight = \frac{\sum{m_i}}{\sum{n_i}}</math>

where: mi = mass of individual component
:and ni = mole of individual component

So for the above example:

<math>Stream Molecular Weight = \frac{1000kg}{30.594kgmoles} = 32.69kg/kgmol</math>

'''Note:'''
 SysCAD uses the atomic weight of the elements and the compound definition in the Specie Database to calculate the Molecular weight of each compound.

== Stream Density ==

The Stream Density is calculated as:

<math> \frac{Total\ mass}{Total\ volume} = \frac{\sum{m_i}}{\sum{\frac{m_i}{p_i}}} </math>

where: mi = mass of individual component
:ρi = density of individual component

<math>\mathbf{\mathit{Stream Density = 1000 / (200/2650 + 300/2650 + 400/997.04 + 80/1841 + 10/1.80 + 10/1.15) = 67.00 kg/m^3}}</math>

Like wise,

* <math>\mathbf{\mathit{Solid Density = Total Solid Mass / Total Solid Volume = 500 / (200/2650 + 300/2650) = 2650 kg/m^2}}</math>

* <math>\mathbf{\mathit{Liquid Density = Total Liquid Mass / Total Liquid Volume = 1079.53 kg/m^2}}</math>

* <math>\mathbf{\mathit{Vapour Density = Total Vapour Mass / Total Vapour Volume = 1.40 kg/m^2}}</math>

* <math>\mathbf{\mathit{Slurry Density = Total (Solid + Liquid) Mass / Total (Solid + Liquid) Volume = 1547.40 kg/m^2}}</math>

See also: [[Example for Stream Density Calculations#Density and Volume display for mixtures|Density and Volume display for mixtures]]

For solution density calculations requiring correction functions, please see [[Example for Stream Density Calculations#Density Correction for Solutions & Data Fitting|Density Correction for Solutions & Data Fitting]].

== Stream Enthalpy values (Hs) ==

Stream Enthalpy values are calculated using the mass weighted mean method. Using values in ''Table 3 Component Properties Summary'', we have:

{|
|-
|rowspan="5" valign="top"| Hs @T || = || Stream Enthalpy (Heat Content)
|-
| = || <math>\mathbf{\mathit{ \sum mf_i * Hs_i }}</math>
|-
| colspan="2"| where mfi and Hsi are mass fraction and enthalpy of individual components respectively
|-
| = ||<math>\mathbf{\mathit{ 0.2*20.85 + 0.3*15.36 + 0.4*104.87 + 0.08*35.33 + 0.01*21.11 + 0.01*26.04}}</math>
|-
| = ||<math>\mathbf{\mathit{ 54.02 kJ/kg}}</math>
|}

{|
|-
|valign="top" rowspan="3" |SmsHs @T || = Solids Enthalpy
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ solids} * Hs_i = 0.2/0.5*20.85 + 0.3/0.5*15.36 = 17.56 kJ/kg }}</math>
|-
|where mfi solids is the mass fraction of solids in the solid phase
|}

{|
|-
|valign="top" rowspan="3" | LmsHs @T || = Liquid Enthalpy
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ liquids} * Hs_i = 0.4/0.48*104.87 + 0.08/0.48*35.33 = 93.28 kJ/kg }}</math>
|-
|where mfi liquids is the mass fraction of liquids in the liquid phase
|}

{|
|-
|valign="top" rowspan="3" |VmsHs @T || = Vapour Enthalpy
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ vapour} * Hs_i = 0.01/0.02*21.11 + 0.01/0.02*26.04 = 23.58 kJ/kg }}</math>
|-
|where mfi vapour is the mass fraction of vapour in the vapour phase
|}

{|
|-
|valign="top" rowspan="5" |SLmsHs @T || = Slurry Enthalpy
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ slurry} * Hs_i }}</math>
|-
|where mfi slurry is the mass fraction of liquid/solid in the slurry (liquid+solid) phase
|-
|= <math>\mathbf{\mathit{0.2/0.98*20.85 + 0.3/0.98*15.36 + 0.4/0.98*104.87 + 0.08/0.98*35.33}}</math>
|-
|= <math>\mathbf{\mathit{54.65 kJ/kg}}</math>
|}

== Stream Specific Heat values (Cp) ==

Stream Specific Heat values are calculated using the mass weighted mean method. Using values in '''''Table 3 Component Properties Summary''''', we have:

{|
|-
|valign="top" rowspan="5"|Cp @T || = Stream Cp
|-
|= <math>\mathbf{\mathit{ \sum mf_i * Cp_i}} </math>
|-
|where mfi and Cpi are mass fraction and Cp of individual components respectively
|-
|= <math>\mathbf{\mathit{0.2*0.83 + 0.3*0.62 + 0.4*4.18 + 0.08*1.41 + 0.01*0.84 + 0.01*1.04 }}</math>
|-
|= <math>\mathbf{\mathit{2.16 kJ/kg.C}}</math>
|}

{|
|-
|valign="top" rowspan="3" |SmsCp @T || = Solids Cp
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ solids} * Cp_i = 0.2/0.5*0.83 + 0.3/0.5*0.62 = 0.70 kJ/kg.C }}</math>
|-
|where mfi solids is the mass fraction of solids in the solid phase
|}

{|
|-
|valign="top" rowspan="3" |LmsCp @T || = Liquid Cp
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ liquids} * Cp_i = 0.4/0.48*4.18 + 0.08/0.48*1.41 = 3.72 kJ/kg.C }}</math>
|-
|where mfi liquids is the mass fraction of liquids in the liquid phase
|}

{|
|-
|valign="top" rowspan="3" |VmsCp @T || = Vapour Cp
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ vapour} * Cp_i = 0.01/0.02*0.84 + 0.01/0.02*1.04 = 0.94 kJ/kg.C}}</math>
|-
|where mfi vapour is the mass fraction of vapour in the vapour phase
|}

{|
|-
|valign="top" rowspan="5" |SLmsCp @T || = Slurry Cp
|-
|= <math>\mathbf{\mathit{ \sum mf_{i \ slurry} * Cp_i }}</math>
|-
|where mfi slurry is the mass fraction of liquid/solid in the slurry (liquid+solid) phase
|-
|= <math>\mathbf{\mathit{0.2/0.98*0.83 + 0.3/0.98*0.62 + 0.4/0.98*4.18 + 0.08/0.98*1.41}}</math>
|-
|= <math>\mathbf{\mathit{2.18 kJ/kg.C}}</math>
|}

== Stream Heat of Formation values (Hf) ==

Consider the stream is at 50°C; the stream enthalpy calculations are as follows:

Stream Heat of Formation values are calculated using the mass weighted mean method. Generally, the Heat of Formation data available are at 25°C. Thus, using these values, stream Hf at 25°C is calculated.

From '''''Table 3 Component Properties Summary''''', we have:

{|
|-
|valign="top" rowspan="4" | Stream Hf25°C || = <math> \sum mf_i * H_{f \ i}^{25} </math>
{|
|-
|valign="top" rowspan="2" |where || mfi is mass fraction of individual components and
|-
|Hfi25 is the heat of formation of individual components at 25°C
|}
|-
|<math>\mathbf{\mathit{= 0.2*-12072.99 + 0.3*-15171.18 + 0.4*-15865.97 + 0.08*-9038.72 + 0.01*-8941.31 + 0.01*0}}</math>
|-
|<math>\mathbf{\mathit{= -14124.85 kJ/kg}}</math>
|}

{|
|-
|valign="top" rowspan="4" |Stream Hf 0°C || = <math>\mathbf{\mathit{ H_f^{25} - \sum \int\limits_{0}^{25}Cp_i.dT}} </math>
|-
|= <math>\mathbf{\mathit{H_f 25^{\circ}C - (Hs 25^{\circ}C- Hs 0^{\circ}C)}}</math>
|-
|= <math>\mathbf{\mathit{-14124.85 - (54.02 - 0)}}</math> (See '''Table 4 Stream Properties Summary''')
|-
|= <math>\mathbf{\mathit{-14178.88 kJ/kg}}</math>
|}

{|
|-
|valign="top" rowspan="4" |Stream Hf 50°C ||= <math>\mathbf{\mathit{ H_f^0 + \sum \int\limits_{0}^{50}Cp_i.dT}} </math>
|-
|= <math>\mathbf{\mathit{H_f 0^{\circ}C + (Hs 50^{\circ}C - Hs 0^{\circ}C)}}</math>
|-
|= <math>\mathbf{\mathit{-14178.88 + (108.46 - 0)}}</math> (See '''Table 4 Stream Properties Summary''')
|-
|= <math>\mathbf{\mathit{-14070.42 kJ/kg}}</math>
|}

== Enthalpy Change (Hs) and (Hz) ==

'''Hs''' '''is the enthalpy change (excluding phase change) from 0°C to current temperature.'''

{|
|-
|valign="top" rowspan="3" |Stream Hs 50°C || = <math>\mathbf{\mathit{ \sum \int\limits_{0}^{50}Cp_i.dT }}</math>
|-
|= <math>\mathbf{\mathit{(Hs 50^{\circ}C - Hs 0^{\circ}C)}}</math>
|-
|= <math>\mathbf{\mathit{108.46 kJ/kg}}</math> (See '''Table 4 Stream Properties Summary''')
|}

'''Hz''' '''is the enthalpy change (including phase change) from 0°C to current temperature.'''

{|
|-
|valign="top" rowspan="5" |Stream Hz 50°C || = Net Enthalpy @ temperature
|-
|= <math>\mathbf{\mathit{ H_{phase \ change} + \sum \int\limits_{0}^{50}Cp_i.dT}} </math>
|-
|= <math>\mathbf{\mathit{(H final phase - H original phase) 0^{\circ}C + (Hs 50^{\circ}C - Hs 0^{\circ}C)}}</math>
|-
|= <math>\mathbf{\mathit{0 + (108.46 - 0)}}</math> (See Table 4 Stream Properties Summary)
|-
|= <math>\mathbf{\mathit{108.46 kJ/kg}}</math> (Note this example contains no phase change)
|}

'''Note''': For compounds without phase change, you will find that Hs@T = Hz@T. However, for streams involving '''Steam/Water,''' where it has <math>\mathbf{\mathit{H_lg = 2501\ at\ 0^{\circ}C}}</math> & Sat. Pressure, these two terms will not be equal. See Examples on calculating Energy change around a unit for more details.

== Calculating Energy change around a unit ==

=== Calculating Energy change around a unit without phase change ===

[[Image:Models-Main-image055.jpg]]

The above is a "summary" of information you can obtain from SysCAD.

Now to check the numbers using the steam tables[#_ftn1 [1]]:

:At <math>\mathbf{\mathit{100 ^{\circ}C\ at\ sat. P, H_g = 2675.572 kJ/kg}}</math>

:At <math>\mathbf{\mathit{120 ^{\circ}C\ at\ sat. P, H_g = 2705.9342 kJ/kg}}</math>

Thus energy required to heat up the steam for 20°C is:

:<math>\mathbf{\mathit{1 kg/s * (2705.9342 - 2675.572) kJ/kg = 30.3622 kJ/s}}</math> (answer = to that obtained from SysCAD.)

As demonstrated by the above example, you can use Hs (sensible heat), Hz (enthalpy) or Hf (heat of formation) values to work out the energy required to raise the stream by 20°C. It is whatever you are comfortable with.

SysCAD Files

2013-08-11T09:06:24Z

Ab.Rijkeboer: /* Introduction */

'''Navigation: [[User Guide]] -> SysCAD Files'''

== Introduction ==

When SysCAD is installed a number of folders and files are created and for SysCAD to function correctly, it is necessary to keep certain files at the correct locations. The default name for the main SysCAD folder given during install is 'SysCAD92'.

Please note that SysCAD is not a 'lean' client, and as such it must be installed on the computer that is to run SysCAD. A user may not install the software on another computer, or server, and then run SysCAD on their PC. (Of course, SysCAD can be installed on a remote computer and SysCAD can be run on the remote computer from another computer using Remote Desktop or similar software)

To illustrate the function and necessity of these folders and files, an example install is used and the sample file location tree is as follows:

[[Image:SysCAD File Structure.png]]

The two folders that must be located in the main SysCAD folder on a PC for SysCAD to run on that PC are:
* BaseFiles; and
* bin.

All of the other folders may be moved to different locations, or deleted. (The user must be able to locate a valid SysCAD license elsewhere if the License folder is deleted)

The folders are explained in the following sections.

== Bin Folder ==

This folder MUST always be present and must not be removed - SysCAD will not run if this folder is missing.

When SysCAD is installed, it places all the program files in the '''bin''' folder. These include:
* SysCAD92.exe;
* Dynamic Link Libraries (dlls);
* DLLs for users with custom add-ons; and
* COM Type Libraries (tlb) files.

If the user wishes to upgrade to the latest SysCAD version, but not run a full install, then they can unzip the upgraded SysCAD bin files into this folder.

== Base Files Folder ==

This folder MUST always be present and must not be renamed. Full user access permissions are required in this folder.

When SysCAD is installed, it places all the distributed data files in the '''Basefiles''' folder. These include:
*''Default.mdb'' - The default species database containing a species table that is available to all users.
*''Symbols'' folder - contains all the standard drawing symbols available in SysCAD.
*''Fonts'' folder - contains some fonts file, not used by SysCAD.
*''QuickViewDefaults.1.ini'' - a file used to define default tag lists for Quickview for each model type.
* In addition it contains a number of templates for the text based (controller and reaction) files.

All files stored in this folder should be treated as global data files, that is, any projects can access these ''reference files''. No user specific files should be placed in this folder, they go in BaseFilesUser.

These files are supplied by SysCAD and can be overwritten or updated at any time (a new install, SysCAD update, etc). A recommended practice before installing a major update is to delete the contents of the BaseFiles folder so that no "old" or "obsolete" files are unintentionally retained.

See [[Data Libraries]] for more information on the databases SysCAD uses.

If this folder is deleted, SysCAD will not run.

== Base Files User Folder ==

This folder is used to store user preferences, settings, custom conversions and user defined symbols. If SysCAD is re-installed, it will NOT overwrite any files stored in this folder.

This folder is used to store users own [[Graphics Symbols]]. These symbols will be available for use in SysCAD in the same list as the standard symbols. When moving to a new computer, you can copy your Symbols between PCs.

== Examples Folder ==

When SysCAD is installed a number of Example projects are stored in this folder. They have been developed to demonstrate various SysCAD features and to provide users with a basic starting point for new projects.

For example, if a user wishes to create a SysCAD model of an Ammonia plant, then they could create a copy of the Example Ammonia plant and use that as the basis for a more complex model.

This folder may be deleted or moved. A recommended practice before installing a major update is to delete the contents of the Examples folder so that no "old" or "obsolete" projects and files are unintentionally retained.

See [[Example Projects]] and [[Project Structure]] for more information.

== License Folder ==

This folder contains files required for the SysCAD license. Full user access permissions are required in this folder.

This is the default license location and contains all of the licensing files. However, a user may move this folder to another location or rename it '''before''' the license is issued and then browse to the new location the first time that SysCAD is opened (thereafter the software will remember the location).

The license does NOT normally need to be upgraded when SysCAD is upgraded.

'''Note:''' This folder may be deleted, moved or renamed, only if the license is NOT stored in this folder or it has not yet been issued. Once a license has been issued to this location, the folder must not be moved or renamed. If either of these steps is carried out the SysCAD license will be lost.

==Setup Folder ==

This folder contains files used during SysCAD set up or for future use such as the LicenseUtility folder.

The setup folder has a number of sub-folders containing software that is used in tandem with SysCAD. Most of this software is installed when SysCAD is installed, but it is also available here if the user wishes to re-install it.
We recommend that users install [[Notepad++]] as it has a number of advantages over the standard text editor installed with Windows. This can then be set as the default text editor used for editing the control files, or PGM files.

This folder may be deleted or moved.

== Tutorial Folder ==

This folder contains files used as part of the standard SysCAD training courses. They also show how different projects can use the same CfgFiles folder.

This folder may be deleted or moved.

== SysCAD Files ==

Most of the SysCAD created files are essential and care should be taken to keep these files in the correct location.

The following files are required to run SysCAD or are used for related functionality:

'''Executable'''
:SysCAD92\bin\SysCAD92.exe

'''Main SysCAD Files (Dynamic Link Libraries)'''
:SysCAD92\Bin\DevLib.dll
:SysCAD92\Bin\DevLibEx.dll
:SysCAD92\Bin\DevUtils.dll
:SysCAD92\Bin\FlwLib.dll
:SysCAD92\Bin\MdlBase.dll
:SysCAD92\Bin\RegexWrap.dll
:SysCAD92\Bin\ScDdeSrvr.dll
:SysCAD92\Bin\ScdIF92.dll
:SysCAD92\Bin\ScdLib.dll
:SysCAD92\Bin\ScdOPCSrv.dll
:SysCAD92\Bin\ScdSlv92.dll
:SysCAD92\Bin\ScExec.dll
:SysCAD92\Bin\ScHist.dll
:SysCAD92\Bin\scOPCsrv.dll
:SysCAD92\Bin\UnZip32.dll
:SysCAD92\Bin\XYLib.dll
:SysCAD92\Bin\Zip32.dll
:SysCAD92\bin\kwdb.dll
:SysCAD92\bin\xxx.dll (Model libraries eg. Basic1.dll Control1.dll)

'''Command to register SysCAD files ''' ([[COM_Automation]] and [[SysCAD_Marshal|SysCAD Marshal]])
:SysCAD92\Bin\RegAll.cmd
:SysCAD92\Bin\RegAll_Verbose.cmd

'''SysCAD Files for COM Automation''' ([[COM Automation]])
:SysCAD92\Bin\ScdSlv92.tlb
:SysCAD92\Bin\ScdIF92.tlb
:SysCAD92\Bin\SysCAD92.tlb

'''SysCAD Marshal files''' ([[SysCAD_Marshal|SysCAD Marshal]])
:SysCAD92\Bin\SysCADMarshal.exe
:SysCAD92\Bin\SysCADMarshal_ps.dll

'''OPC Test files'''
:SysCAD92\Bin\ScdIODB.exe

'''SysCAD data files'''
:SysCAD92\Basefiles\Default.mdb
:SysCAD92\Basefiles\Symbols\*.*
:SysCAD92\Basefiles\Template.inc.pgm
:SysCAD92\Basefiles\Template.pgm
:SysCAD92\Basefiles\Template.rct
:SysCAD92\BasefilesUser\Conversions.mdb
:SysCAD92\BasefilesUser\Symbols\*.*
:SysCAD92\BasefilesUser\SysCAD.Machine.ini
:SysCAD92\BasefilesUser\SysCAD.User.xxxx.ini

'''SysCAD License Files''' ([[Licensing#Crypkey_Licensing_Software_Installation|Licensing]])
:SysCAD92\License\SysCAD.exe (required)
:SysCAD92\License\crp32001.ngn (required if using SysCAD91)
:SysCAD92\License\crp32002.ngn (required if using SysCAD92)
:SysCAD92\License\SysCAD.41s (created)
:SysCAD92\License\SysCAD.ent (created)
:SysCAD92\License\SysCAD.key (created)
:SysCAD92\License\SysCAD.rst (created)

Editing SysCAD Database

2012-07-11T06:50:59Z

Ab.Rijkeboer: /* Enter or Change Species data */

'''Navigation: [[User Guide]] -> Editing SysCAD Database'''

'''Related Links:''' [[Species Table]], [[Project Configuration (cfg File)]], [[Conversions Table]], [[Species Data]]

'''NOTE:''' This page is valid for SysCAD 9.2, see [[Editing SysCAD Database in 9.1]] for SysCAD 9.1.

== Introduction ==

You can edit the [[Species Table|Species Table]] in the following ways:
# Start SysCAD, and before opening a project:
#: Go to ''Edit - Project Configuration'', highlight the required Project name and click on the 'Species DB' button.
# Either before the project is open, or if the project is already open:
#: Go to ''Species - Edit Project Database''.

You may also edit the Default Species database.

If you are familiar with Microsoft Access and the SysCAD species database, you can edit the data directly in MS Access. This is not recommended, as you need to take care of SysCAD requirements for data formatting and rules. Also all the default fields in the default tables should be unchanged as SysCAD accesses them when the projects are loaded or saved.

'''NOTES:'''
*You must exit and reload your project (or exit and restart SysCAD) in order to use any changes or additions.
*For newly added chemical compounds to appear in your SysCAD project, the configuration file must be edited as well. See [[Specie Configuration#Adding (or Removing) a Specie to the Configuration File|Adding a Species to the Configuration File]].

== Edit Species Tab Page Layout ==

* This tab page has the layout of a data entry form.
* It displays the data of the highlighted species.
* You may edit any data fields that are in white.
* Pressing '''OK''' or '''Cancel''' will close the Species Database Pop Up Window.
* See [[Species Table|Species Table]] for the definition of the various fields.

[[Image:Species dB 1.png]]

=== Data Field Buttons ===

{| border="0" cellpadding="5" cellspacing="0"
|-
| '''Button''' || '''Description'''
|-
| valign="top" | [[Image:Button - Default Data.png|20px]] || Default data for the adjacent field is available in SysCAD. If the field is greyed out, click on this button and it will change to white and the user may edit the data. If the field is white, it means that the default data is not being used. If the user wishes to return to the Default data, click on button and the default data will overwrite any user changes and the field will change to grey.
|-
| valign="top" | [[Image:Button - Expand Field.png|20px]] || This button opens a larger text area, so that the data in the field is displayed more clearly. For example, if there are multiple equations in the Cp field, then each equation will be displayed on a separate line.
|-
| valign="top" | [[Image:Button - Equation Form.png|20px]] || This button displays the forms of the available equations for the adjacent field. For example, the Cp data field allows the user to enter a number of different Cp equations - each type will be displayed if the user clicks on this button nad the user may then click on the required equation type.
|-
| valign="top" | [[Image:Button - Spline entry.png|20px]] || This button displays the Spline entry dialog box. This button is only active if the user has selected 'Tspline...' as the equation type.
|}

== Species Display Window ==

All of the species that exist within the species database will be displayed in the Display Window - shown on the left hand side of the window.

# The species are always displayed in alphabetical order.
# When you click on a species in the display window the parameters for that species become visible for viewing or editing. In the above window, NaCl(aq) is selected and its parameters are displayed.
# You may use the Filter at the bottom of the list to view only selected species. The following table describes the available selections in the 2 filter windows and how they will change the species display window:

:{| border="1" cellpadding="5" cellspacing="1"
| <div style="text-align: center;">'''Filter Window 1'''</div>||<div style="text-align: center;">'''Filter Window 2'''</div>||<div style="text-align: center;">'''Display View'''</div>
|-
|None || Blank || All species in the database are displayed.
|-
|Starts || Required element (case sensitive) || Displays all species that have the required element as the First element in the compound.
|-
|Contains || Required element (case sensitive) || Displays all species that have the required element anywhere in the compound.
|-
|rowspan="2" valign="top"|
Solids
|| Blank OR || Displays all solid species.
|-
|Required element (case sensitive) || Displays all solid species that have the required element as the First element in the compound.
|-
|rowspan="2" valign="top"|
Liquids
|| Blank OR || Displays all liquid species.
|-
| Required element (case sensitive) || Displays all liquid species that have the required element as the First element in the compound.
|-
|rowspan="2" valign="top"|
Vapours
|| Blank OR || Displays all gaseous species.
|-
| Required element (case sensitive) || Displays all gaseous species that have the required element as the First element in the compound.
|}

== Enter or Change Species data ==

You may enter or change data for most species in the Specie database. However, the following species are handled differently in the SysCAD database:
* Water and Steam, H2O(l) and H2O(g), always exist in the SysCAD database and you CANNOT change the data for these two species. The properties for water and steam are calculated using internal functions and data. Please see '''[[Water and Steam Properties]]'''.
* Sulfuric acid, H2SO4(l) and H2SO4(aq), always exist in the SysCAD database. However, you can edit the data for these species. Please see [[Sulfuric Acid (H2SO4) in 9.2#Editing the Properties of Sulfuric Acid|Editing the Properties of Sulfuric Acid]].

You may add, delete and edit all other species. You may click on a specie in the Display List and the fields that can be edited are displayed on the right hand side:

# Fields that can be edited are white.
# Fields that contain Default data have a Default button, a Green D, and are grey when first viewed. You may edit these fields by clicking on the Default button and the field colour will change to white. If you wish to return to the default data at any time, you simply click on the Default button and SysCAD will insert the default data back into the field.
# Certain fields are grouped together and a specific field must be completed before you can edit the other fields in the group. For example, in the 'Solution Data' group, you must select a 'Solvent' from the drop down list before you can edit the 'Density Correction' or 'Heat of Dilution' fields.
# You may only edit certain fields if the species occurs in a specific phase. For example, you may only enter 'Solution Data' for Liquid species and 'Vapour Properties' for gaseous species.
# Fields that have predefined equations have a Selection List that will assist you with entering the data. Click on the '''?''' button and the list of available functions will be displayed. (If a field allows you to enter Spline data, please see [[#Entering Spline Data|Entering Spline Data]] to see how to enter this form of data). The image below shows the Heat Capacity (Cp) field:

:[[Image:Specific Heat.GIF]]

The Data Fields are described briefly below. (For further information on how the data is used within SysCAD, please see [[Species Table]])

:{| border="1" cellpadding="5" cellspacing="1"
| <div style="text-align: center;">'''Group'''</div> || <div style="text-align: center;">'''Data Field Name'''</div> || <div style="text-align: center;">'''Data Type'''</div> || <div style="text-align: center;">'''Required/Optional'''</div> || <div style="text-align: center;">'''Description'''</div> || <div style="text-align: center;">'''Example'''</div>
|-
|rowspan="6" valign="top"|
'''General'''
|| Name || Alphanumeric string || Optional || The name of the species || Sodium Chloride
|-
|Compound || Alphanumeric string || Required || The species tag, normally a chemical formula || NaCl
|-
|Definition || Alphanumeric string || Required || The elemental makeup of the species (case sensitive) || Na1Cl1
|-
|Phase Occurrence || Selection Buttons || Required || The phase in which the species occurs. This may only be Solid, Liquid or Gas. || Liquid
|-
|Individual Phase Label || Drop down list, or user defined || Required || The individual phase. This may be the same as the Phase or a subset of the phase, e.g aq is a subset of liquid. The user may also type in their own name, i.e. "o" for an organic species. || aq
|-
|Density || SysCAD Selection List || Optional || The density of the species. This may be a constant or a polynomial where density is a function of Temperature. If this field is greyed out, then a Density correction function has been used. || 2300
|-
|rowspan="3" valign="top"|
'''Thermodynamic'''
|| H25 || Single value || Optional || The enthalpy of formation in J/mol at 250C. Normally 0 for elements in their Standard State, negative for most other species. || -407312.394
|-
|S25 || Single value || Optional || The entropy in J/mol.K at 250C || 117.152
|-
|Cp || SysCAD Selection List || Optional || The specific Heat in J/mol.K. This may be a constant, or any of the equations shown in the SysCAD selection list. A species may have more than one Cp equation. In the example above, NaCl(aq) has 2 equations covering a temperature range from 273K to 473K. See [[Species Table#Heat Capacity (Cp)|Heat Capacity]] To enter multiple equations, click on the '?' button and click on the first equation type; then click on the '?' button again and click on the second equation type (which may be the same type as the 1st one). Continue until you have the required number of equations. You can then fill in the required constants in each equation. To see multiple equations in the Cp field, click on the drop down button next to the field, and each equation will be displayed on a separate line. || CRC_Cp(40.016, 25.468, 3.648, 0): Range(C,25,150)
|-
|rowspan="3" valign="top"|
'''Solution Data'''

Can only be edited if the species is a Liquid.
|| Solvent || Drop down list with all liquid species || Optional || The solvent used for density correction and / or Enthalpy of dilution. Each species may only have a single solvent. || H2O(l)
|-
| Dens Correct || SysCAD Selection List || Optional || This field may only be edited if a 'Solvent' has been selected. The density correction function as a function of the Mass Fraction of the selected species. This is normally a polynomial function derived from data. See [[Species Table#Density Correction (Dens Correct)|Density Correction]] and [[Density Correction Calculations]] || Poly(0.997, 2.5987, -13.708, 35.212): Limit(0.18, 3606,On)
|-
| Ht of Dilution || SysCAD Selection List || Optional || This field may only be edited if a 'Solvent' has been selected. The Enthalpy of Dilution function as a function of the Mass Fraction of the selected species. Currently allows the user to input data using the TSpline method (described below) or as a polynomial equation. See [[Species Table#Heat of Dilution (Ht of Dilution)|Heat of Dilution]] ||
|-
|rowspan="3" valign="top"|
'''Phase Change'''
|| Type || Drop down list || Optional || Methods of changing species phases. This covers Solubility, Temperature and Mass Fraction phase changes. See [[Species Table#Phase Change|Phase Change]] || SolubleT -g/100g
|-
| Paired || Drop down list || Optional || This field may only be edited if a 'Type' has been selected. Both species must have the identical elemental makeup. || NaCl(s)
|-
| Function || SysCAD Selection List || Optional || This field may only be edited if a 'Type' has been selected. The function used to describe the phase change functionality. Currently allows the user to input data using the TSpline method (described below), as a polynomial equation or a constant. || Poly(12.4, 67)
|-
|rowspan="5" valign="top"|
'''Vapour Properties'''

Can only be edited if the species is a Gas.
|| Vp || SysCAD Selection List || Optional || Vapour pressure equation, used in VLE. Any of the standard vapour pressure equations, including the various forms of the Antoine equation. See [[Species Table#Vapour Pressure (Vp)|Vapour Pressure in the Species Table]]. || VpAnt(15.029, 617.886, -6.57, 55.8, 92):Range(C, 25, 727)
|-
| Pc || Single Value || Optional || The Critical Pressure of the gas in MPa || 3.77
|-
| Tc || Single Value || Optional || The Critical Temperature of the gas in K || 132.4
|-
| Vc || Single Value || Optional || The Critical Volume of the gas in l/mol || 0.0935
|-
| Ac || Single Value || Optional || Acentric Factor for the species || 0.033
|-
| '''Dissociation'''

Can only be edited if the species is a liquid
|| Ka/b || SysCAD Selection List || Optional || The dissociation constant(s) of the species - only visible for liquid species. Values for common acids and bases are present in SysCAD. See [[Standard Species Model#Acidity (pH) Calculations|Acidity Calculations]] || Ka(1,0)
|-
| '''Boiling Pt Elevation'''

Can only be edited if the species is a liquid
|| BPE || SysCAD Selection List || Optional || The user enters the van't Hoff constant for the species. (This functionality currently expects the solvent to be water.) Please see [[Species Table#Boiling Point Elevation|Boiling Point Elevation]] || vantHoffConst(1.68)
|-
|rowspan="2" valign="top"|
'''Reference Information'''
|| Checked || Alphanumeric || Optional || Field to allow user to confirm that data has been checked. Ideally this will contain the users name or initials and date. || John Doe 23/6/2007
|-
|| Reference || Alphanumeric || Optional || Field to allow user to give references for the data. Ideally this will contain references for all data for the species. || HSC Database & Prausnitz 1977
|}

== Entering Spline Data ==

Currently you may enter TSpline data for Heat of Dilution and for Solubility.
# Heat of Dilution:
#* The data will be Heat of formation as a function of Mass Fraction. The required data is as follows:
#* A table of data with X and Y values, where X = Mass Fraction in % and Y = Heat of Formation at 250C in J/mol
#* Low Range - the lowest X value in the table, this must be 0
#* High Range - the highest X value in the table, this must be 100
#* Tension - this factor determines the shape of the curve between data points. If this factor is small, the curve approaches a cubic spline. As the tension increases the curve between points becomes more linear. The default value of 1 will normally be acceptable.
# Solubility:
#* The data will be Solubility as a function of Temperature. The required data is as follows:
#* A table of data with X and Y values, where X = Temperature in C and Y = Solubility in g/g or g/100g (The user will define g/g or g/100g in ''Type'')
#* Low Range - the lowest X value in the table. This is automatically picked up from the values inserted, the user does not have to type it in.
#* High Range - the highest X value in the table. This is automatically picked up from the values inserted, the user does not have to type it in.
#* Tension - this factor determines the shape of the curve between data points. If this factor is small, the curve approaches a cubic spline. As the tension increases the curve between points becomes more linear. The default value of 1 will normally be acceptable.

'''Note:''' The best way to enter this data is to copy it from an Excel spreadsheet with the X and Y data in adjacent columns.

The steps for entering this data are shown in the image below:

[[image: Spline 1.png]]

# Click on the ''''?'''' button and select TSpline(...) from the drop down list,
# Then click on the small table button next to the ''''?'''' button (this is only enabled if TSpline() is selected),
# The Spline Table data entry dialog box will be displayed. You may then either:
#* Cut and paste data in from an existing table, e.g. Excel, with the X and Y values in adjacent columns, (This is the recommended method) or
#* Type in the table of data in the form of rows consisting of X, Y.
# Once you are happy with the data. click on the '''Check''' button so that SysCAD can check for incorrect syntax or missing values.
# If there are no errors with the data, click on the '''OK''' button.

SysCAD will then use a Spline method to interpolate from the data in the table.

'''Note:''' A spline is a special function defined piecewise by polynomials and is used in interpolating problems.

== Add New Species Manually ==

# To add a completely new chemical species using the Edit Species Tab page, press the '''New '''button.
# All data fields are now white.
# Enter the new specie properties in the data fields and press '''Update''' to add to the database or '''Undo''' to cancel the edit.

''' Example'''

To add a 'pseudo' species, such as ''InertSolids'' or ''Gangue'', do the following:
# Click on the ''New'' button
# Type in the required name and compound, in this case they can be the same and we will use ''Gangue''.
# Type in the definition. Normally this is the elemental composition of the species, such as Na2S1O4 for Na2SO4. In the case of a 'pseudo' species, you normally use a false element and composition, in this case Gn1(123), where Gn is NOT a real element. Here we are saying that ''Gangue'' consists of 1 atom of Gn which has a molecular weight of 123. (Since ''Gangue'' will never be involved in any reactions, the number of atoms and molecular weight is not important, so you can use any values here)
# Choose the Phase Occurrence as Solid and the required Individual Phase Label, usually ''s''.
# All other data entry fields are optional, but it is recommended that you enter a reasonable value for the density, as this will affect stream densities and volumetric flows.
# It is also recommended that you enter some information in the Checked and Reference fields, so that there is an audit trail for this information.

== Copy an Existing Species ==

# To add a new Species that resembles an existing Species in the specie database, click on the similar Species in the species display window and press the '''Copy '''button.
# You may now edit the required data fields to add the new Species.
# Enter the new Species properties in the data fields and press '''Update''' to add to the database or '''Undo''' to cancel the edit.
# '''NOTE:''' You MUST change at least either the ''Compound'' or the ''Individual Phase Label'' otherwise SysCAD will not recognise it as a new species and will prompt you to return and edit either of those fields.

== Delete Species from database ==

Click on the unwanted Species in the specie display window and press '''Delete'''. The Species will be deleted from the SysCAD.mdb file that you are editing.

'''Note:''' The following species CANNOT be deleted from the SysCAD database:
* H2O(l),
* H2O(g),
* H2SO4(l), and
* H2SO4(aq)

== Importing Species from SysCAD or HSC Database ==

# Data may be imported from other SysCAD [[Species Table|Species Tables]] (For example, the SysCAD92\Basefiles\Default.92.mdb) using the '''SysCAD dB''' Button in the ''Import'' section.
# Data may be imported directly from the Species Database provided with HSC Chemistry by Outotec (previously Outokumpu). To use this feature you do not need to load or run HSC, but you must have access to an installed copy of '''HSC Chemistry for Windows'''. For more information on the Licensed Software HSC Chemistry from Outotec, contact your local distributor or Outotec Research directly (www.outotec.com/HSC).

'''Note''' The HSC Import feature is enabled in SysCAD 9.2 Build 133 and later.

To import data from the edit species database window, push the required button (SysCAD or HSC), navigate to the required database and select the database. The following Dialog box will be opened (note: the G column only appears when importing from HSC):

[[Image:Species dB import.png]]

=== Filter Import Display ===

You may filter the species by using the ''Filter'' at the bottom of the dialogue box. The available options are:
# '''None:''' All species in the database will be displayed.
# '''Starts:''' Select this and then enter in the Element of interest into the Right Hand window and the list will only display species starting with the selected element. In the above example, we have selected Ca (Calcium) and only those species starting with Ca are displayed. You may refine the filter beyond just the first element, e.g. if you enter Ca2Fe, then the list of compounds displayed is considerably shorter.
# '''Contains:''' Select this then type in the Element of interest into the Right Hand window and the list will display all species that include the selected element. If in the above example we used '''Contains''' instead of '''Starts''', the list of species would have been much longer, and included species such as Al2Ca(s), KCaCl3(s), etc.

=== Import Rules ===

# To import new chemical compounds, click in the ''Import'' box on the left and a tick will appear.
# You can select single or multiple compounds before pressing '''Import''' to proceed.
# Compounds with a '''N/A''' next to the Import box already exist in the destination database and cannot be imported.
# When importing from HSC, SysCAD displays some individual species as part of a ''Group'', indicated by the letter 'G' next to the import box. This is for the case of species with multiple distinct phases with different temperature ranges, Heats of Transformation (Ht) between phases and Heat Capacity (Cp) data for each range. In these cases:
#* It is recommended, but not essential, that all species in a group are imported together. If the user omits any member of the group from the import, they will see a message window when they click on Import:
#* [[Image:Species dB import Message.png]]
#* You can either click on 'Cancel' and then select all members of the group, or continue and only import the selected species.
#* The Section below describes how SysCAD calculates the Heat of Formation for each species in this case.

=== Importing Species with Phase Change From HSC ===

==== Species with Heat of Transformation ====

The SysCAD species database requires the Hf for each phase and '''NOT''' the Ht, as given in the HSC database. The automatic import from HSC to SysCAD manages this as follows:
* For the first phase, SysCAD imports the Heat of Formation at 25°C.
* For subsequent phases, SysCAD will calculate (internally) the enthalpy of the species at the starting temperature using the Hf, Ht and Cp data provided by HSC. SysCAD will then calculate for that particular temperature range what the Hf at 25°C needs to be in order to get back to this enthalpy at the starting temperature, '''using the Cp data for this temperature range only'''. This will most likely result in SysCAD importing a different Hf for each temperature range. Thus the enthalpy shown by SysCAD outside the specified temperature range may not be strictly correct, but within the specified temperature range, the enthalpy calculated by SysCAD will be correct.

For example, the following data is shown in the HSC database for SiO2:
{| border="1" cellspacing="0" cellpadding="5"
|-
|| Species || Phase || Ts (K) || Te (K) || H (J/mol) || a || b || c || d || Comment
|-
|| SiO2 || AAs || 298.15 || 847 || -910857 || 58.082 || -0.033 || -14.259 || 28.221 || In this case H is the Hf at 25 °C for SiO2(AAs).
|-
|| SiO2 || BBs || 847 || 1079 || 728 || 58.873 || 10.071 || 0.117 || 0 || Here the H value is the Ht between SiO2(AAs) -> SiO2(BBs) at 847K.
|}

The HSC_Cp equations are in the format of (T is in Kelvin, Cp is J/(mol.K)):

<math> C_p = a + b.10^{-3}*T + \frac{c.10^5}{T^2} + d.10^{-6}*T^2 </math>

For the first phase, SysCAD will import the value of -910857 J/mol for the Heat of Formation at 25 deg C (298.15K).

For the second phase, SysCAD will first calculate the enthalpy at the starting temperature (Ts) of 847K, using the relationship:

<math> H (Ts) = Hf (298.15K) + Ht + \int\limits_{298.15}^{Ts}Cp. dT </math>

H (847K) = -910857 + 728 + 34236 = -875893 J/mol, using the Cp data for the first temperature range.

SysCAD will then calculate what the Hf at 25 deg C needs to be in order to get back to this enthalpy at the starting temperature, '''using the Cp data for this temperature range only'''. This means that it will used a fixed Cp calculated at Ts.

<math> C_p (847K) = 58.873 + 10.071.10^{-3}*847 + \frac{0.117.10^5}{847^2} + 0.10^{-6}*847^2 = 67.42 J/(mol.K) </math>

Thus for the second phase, Hf (298.15K) = H (847K) - Cp * (Ts - 298.15) = -875893 - (67.42*(847-298.15)) = -912896 J/mol.

==== Species with no Heat of Transformation ====

Some species in the HSC database has a number of 'phases', each with a distinct Cp equation. However, there is '''no''' heat of transition between these phases.
* In these cases, SysCAD will import these as a single species with multiple Cp equations.
* The number of Cp equations is displayed in the Import Dialogue box on the right hand side under ''Segs''.