Command line interface
You can run simulation from the command lines with DyssolC.exe, which can be found in the installation directory. Usage:
DyssolC.exe --key[=value] [--key[=value] [...]]
Key |
Short key |
Example |
|---|---|---|
--script |
-s |
DyssolC.exe --script=”script.txt” |
--version |
-v |
DyssolC.exe --version |
--models |
-m |
DyssolC.exe -m |
--models_path |
-mp |
DyssolC.exe -m -mp=”models1” -mp=”models2” |
--help |
-h |
DyssolC.exe --help |
--script defines a script file, and it is a required key needed to start simulation. Script is a text file describing all necessary parameters for your simulation file. Details about the script keys are described below.
You can find exemplary script files in the installation directory under Example Scripts.
Only 3 script keys from the list are mandatory: SOURCE_FILE or RESULT_FILE, MODELS_PATH, and MATERIALS_DATABASE. The rest are optional and will override parameters set in initial file, specified as SOURCE_FILE. If SOURCE_FILE is not defined, the script should describe the entire flowsheet with all parameters, and RESULT_FILE is required. If RESULT_FILE parameter is not specified, results of the simulation will be written to a SOURCE_FILE.
script keys MODELS_PATH, DISTRIBUTION_GRID, UNIT, STREAM, UNIT_PARAMETER, UNIT_HOLDUP_*, EXPORT_STREAM_*, EXPORT_HOLDUP_*, EXPORT_UNIT_* can be mentioned several times in the script file, the rest should be places only once.
Main
Script key |
Value |
Description |
|---|---|---|
JOB |
Delimiter for a sequentially executed job within one script |
|
SOURCE_FILE |
<path> |
Full path to a *.dflw file with initial flowsheet |
RESULT_FILE |
<path> |
Full path to a file where simulation results will be written |
MODELS_PATH |
<path> |
Path to the directory with libraries of units and solvers |
MATERIALS_DATABASE |
<path> |
Full path to the file with materials database |
Simulation
Simulation options
Script key |
Value |
Description |
|---|---|---|
SIMULATION_TIME |
<value> |
End simulation time [s] |
RELATIVE_TOLERANCE |
<value> |
Global relative tolerance |
ABSOLUTE_TOLERANCE |
<value> |
Global absolute tolerance |
MINIMAL_FRACTION |
<value> |
Minimum significant fraction in MD matrices |
SAVE_TIME_STEP_HINT |
<value> |
Save time step hint [s] for streams |
SAVE_FLAG_FOR_HOLDUPS |
YES/NO |
Apply save time step hint for holdups and internal streams |
THERMO_TEMPERATURE_MIN |
<value> |
Min of temperature range [K] where mixtures can be calculated |
THERMO_TEMPERATURE_MAX |
<value> |
Max of temperature range [K] where mixtures can be calculated |
THERMO_TEMPERATURE_INTERVALS |
<value> |
Number of intervals to calculate temperature of mixtures |
INIT_TIME_WINDOW |
<value> |
Initial time window [s] |
MIN_TIME_WINDOW |
<value> |
Min size of time window [s] |
MAX_TIME_WINDOW |
<value> |
Max size of time window [s] |
MAX_ITERATIONS_NUMBER |
<value> |
Max allowed number of iterations |
WINDOW_CHANGE_RATE |
<value> |
Rate of change of the time window |
TERATIONS_UPPER_LIMIT |
<value> |
Upper limit of iterations for adjusting time window size |
ITERATIONS_LOWER_LIMIT |
<value> |
Lower limit of iterations for adjusting time window size |
ITERATIONS_UPPER_LIMIT_1ST |
<value> |
Upper limit of iterations for adjusting time window size of the 1st window |
RELAXATION_PARAMETER |
<value> |
Relaxation parameter for DIRECT_SUBSTITUTION (0;1] |
ACCELERATION_LIMIT |
<value> |
Axxeleration parameter limit for WEGSTEIN (-5;1) |
CONVERGENCE_METHOD |
DIRECT_SUBSTITUTION/WEGSTEIN/STEFFENSEN |
Convergence method |
EXTRAPOLATION_METHOD |
NEAREST_NEIGHBOR/LINEAR/CUBIC_SPLINE |
Extrapolation method |
Phases
Script key |
Value |
Description |
|---|---|---|
PHASES |
<name> SOLID/LIQUID/GAS [<name> SOLID/LIQUID/GAS […]] |
Defined phases |
Compounds
Script key |
Value |
Description |
|---|---|---|
COMPOUNDS |
<key>/<name> [<key>/<name> […]] |
Defined compounds from materials database |
Grids
Script key |
Value |
Description |
|---|---|---|
KEEP_EXISTING_GRIDS_VALUES |
YES/NO |
Whether to keep grids defined in SOURCE_FILE. If set to NO, all grids are removed before applying any DISTRIBUTION_GRID. Default = YES |
DISTRIBUTION_GRID |
GLOBAL/<unit_name>/<unit_index> SIZE/PARTICLE_POROSITY/FORM_FACTOR/COLOR/USER_DEFINED_** SYMBOLIC <classes_number> <values> |
Definition of a symbolic grid |
DISTRIBUTION_GRID |
GLOBAL/<unit_name>/<unit_index> SIZE NUMERIC MANUAL/EQUIDISTANT/GEOMETRIC_INC/GEOMETRIC_DEC/LOGARITHMIC_INC/LOGARITHMIC_DEC DIAMETER/VOLUME <classes_number> <values> |
Definition of a numeric size grid |
DISTRIBUTION_GRID |
GLOBAL/<unit_name>/<unit_index> PARTICLE_POROSITY/FORM_FACTOR/COLOR/USER_DEFINED_** NUMERIC MANUAL/EQUIDISTANT/GEOMETRIC_INC/GEOMETRIC_DEC/LOGARITHMIC_INC/LOGARITHMIC_DEC <classes_number> <values> |
Definition of a numeric non-size grid |
Flowsheet structure
Script key |
Value |
Description |
|---|---|---|
KEEP_EXISTING_UNITS |
YES/NO |
Whether to keep units defined in SOURCE_FILE. If set to NO, all units are removed before applying any UNIT. Default = YES |
UNIT |
<name> <model_id>/<model_name>/<lib_path> |
Definition of a unit |
STREAM |
<name> <o_unit_name>/<o_unit_index> <o_port_name>/<o_port_index> <i_unit_name>/<i_unit_index> <i_port_name>/<i_port_index> |
Definition of a stream |
Unit parameters
Script key |
Value |
Description |
|---|---|---|
UNIT_PARAMETER |
<unit_name>/<unit_index> <param_name/param_index> <value> [<value> […]] |
Definition of a constant/string/compound/flag/solver unit parameter |
UNIT_PARAMETER |
<unit_name>/<unit_index> <param_name/param_index> <time> <value> [<time> <value> […]] |
Definition of a time-dependent unit parameter |
UNIT_PARAMETER |
<unit_name>/<unit_index> <param_name/param_index> <subs_number> <base_subs> <name> <nu> <order> <phase> [<name> <nu> <order> <phase> […]] |
Definition of a reaction unit parameter |
Holdups
Script key |
Value |
Description |
|---|---|---|
KEEP_EXISTING_HOLDUPS_VALUES |
YES/NO |
Whether to keep holdups defined in SOURCE_FILE. If set to NO, all holdups values are removed before applying any HOLDUP_*. Default = YES |
HOLDUP_OVERALL |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> <values> |
Overall (mass/mass flow, temperature, pressure) stream properties for a single time point 0 [s] |
HOLDUP_OVERALL |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> <time> <values> [<time> <values> […]] |
Overall (mass/mass flow, temperature, pressure) stream properties for several time points [s] |
HOLDUP_PHASES |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> <values> |
Mass fractions of all defined phases for a single time point 0 [s] |
HOLDUP_PHASES |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> <time> <values> [<time> <values> […]] |
Mass fractions of all defined phases for several time points [s] |
HOLDUP_COMPOUNDS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> SOLID/LIQUID/GAS <values> |
Compounds mass fractions of all defined compounds in a selected phase for a single time point 0 [s] |
HOLDUP_COMPOUNDS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> SOLID/LIQUID/GAS <time> <values> [<time> <values> […]] |
Compounds mass fractions of all defined compounds in a selected phase for several time points [s] |
HOLDUP_DISTRIBUTION |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> SIZE MIXTURE/<compound_key>/<compound_name> MASS_FRACTION/NUMBER/Q*_DENSITY/Q*_CUMULATIVE DIAMETER/VOLUME MANUAL/NORMAL/LOG_NORMAL/RRSB/GGS [time] <values> [time <values> […]] |
Particle size distribution |
HOLDUP_DISTRIBUTION |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> PARTICLE_POROSITY/FORM_FACTOR/COLOR/USER_DEFINED_** MIXTURE/<compound_key>/<compound_name> MANUAL/NORMAL/LOG_NORMAL/RRSB/GGS [time] <values> [time <values> […]] |
Other distributions aside from particle size distribution |
Export
Script key |
Value |
Description |
|---|---|---|
EXPORT_FILE |
<path> |
Full path to a text file where to export all data |
EXPORT_PRECISION |
<value> |
Precision for floating point output. Default = 6 |
EXPORT_FIXED_POINT |
YES/NO |
Formatting for floating-point output. Default = NO |
EXPORT_SIGNIFICANCE_LIMIT |
<value> |
Values whose absolute value is less than this will be interpreted as 0. Default = 0 |
EXPORT_ONLY |
YES/NO |
Perform only export (no simulation) within this JOB. Default = NO |
EXPORT_STREAM_MASS |
<stream_name>/<stream_index> [<time_points>] |
Export mass flows of a stream |
EXPORT_STREAM_TEMPERATURE |
<stream_name>/<stream_index> [<time_points>] |
Export temperatures of a stream |
EXPORT_STREAM_PRESSURE |
<stream_name>/<stream_index> [<time_points>] |
Export pressures of a stream |
EXPORT_STREAM_OVERALLS |
<stream_name>/<stream_index> [<time_points>] |
Export all overall properties (mass flow, temperature, pressure) of a stream |
EXPORT_STREAM_PHASES_FRACTIONS |
<stream_name>/<stream_index> [<time_points>] |
Export phases mass fractions of a stream |
EXPORT_STREAM_COMPOUNDS_FRACTIONS |
<stream_name>/<stream_index> [<time_points>] |
Export compounds mass fractions of a stream |
EXPORT_STREAM_PSD |
<stream_name>/<stream_index> [<time_points>] |
Export particle size distributions of a stream |
EXPORT_STREAM_DISTRIBUTIONS |
<stream_name>/<stream_index> [<time_points>] |
Export distributed parameters of a stream |
EXPORT_HOLDUP_MASS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export mass a unit’s holdup |
EXPORT_HOLDUP_TEMPERATURE |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export temperatures of a unit’s holdup |
EXPORT_HOLDUP_PRESSURE |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export pressures of a unit’s holdup |
EXPORT_HOLDUP_OVERALLS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export all overall properties (mass, temperature, pressure) of a unit’s holdup |
EXPORT_HOLDUP_PHASES_FRACTIONS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export phases mass fractions of a unit’s holdup |
EXPORT_HOLDUP_COMPOUNDS_FRACTIONS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export compounds mass fractions of a unit’s holdup |
EXPORT_HOLDUP_PSD |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export particle size distributions of a unit’s holdup |
EXPORT_HOLDUP_DISTRIBUTIONS |
<unit_name>/<unit_index> <holdup_name>/<holdup_index> [<time_points>] |
Export distributed parameters of a unit’s holdup |
EXPORT_UNIT_STATE_VARIABLE |
<unit_name>/<unit_index> <var_name>/<var_index> |
Export state variable of a unit |
EXPORT_UNIT_PLOT |
<unit_name>/<unit_index> <plot_name>/<plot_index> <curve_name>/<curve_index> |
Export plot values of a unit |
EXPORT_FLOWSHEET_GRAPH |
<path> |
Export flowsheet graph as a *.png file |