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System of unit operations

Group /input/model

NUNITS

Number of unit operations in the system

Type: int

Range: \(\geq 1\)

Length: 1

INIT_STATE_Y

Initial full state vector (optional, unit operation specific initial data is ignored)

Type: int

Range: \(\geq 1\)

Length: 1

INIT_STATE_YDOT

Initial full time derivative state vector (optional, unit operation specific initial data is ignored)

Type: double

Length: \(\texttt{NDOF}\)

INIT_STATE_SENSY_XXX

Initial full time derivative state vector of the \(\texttt{XXX}\) th sensitivity system (optional, can currently not be specified on unit operation level)

Type: double

Length: \(\texttt{NDOF}\)

INIT_STATE_SENSYDOT_XXX

Initial full state vector of the \(\texttt{XXX}\) th sensitivity system (optional, can currently not be specified on unit operation level)

Type: double

Length: \(\texttt{NDOF}\)

Group /input/model/connections

NSWITCHES

Number of valve switches

Type: int

Range: \(\geq 1\)

Length: 1

CONNECTIONS_INCLUDE_PORTS

Determines whether the \(\texttt{CONNECTIONS}\) table includes ports (\(1\)) or not (\(0\)). Optional, defaults to 0 unless a unit operation model with multiple ports is present.

Type: int

Range: \(\{ 0,1 \}\)

Length: 1

CONNECTIONS_INCLUDE_DYNAMIC_FLOW

Determines whether the \(\texttt{CONNECTIONS}\) table includes linear, quadratic, and cubic flow rate coefficients (1) or not (0). Optional, defaults to 0.

Type: int

Range: \(\{ 0,1 \}\)

Length: 1

Group /input/model/connections/switch_XXX

SECTION

Index of the section that activates this connection set

Type: int

Range: \(\geq 0\)

Length: 1

CONNECTIONS

Matrix with list of connections in row-major storage. Columns are UnitOpID from, UnitOpID to, Port from, Port to, Component from, Component to, volumetric flow rate, linear flow rate coefficient, quadratic flow rate coefficient, cubic flow rate coefficient. If both port indices are \(-1\), all ports are connected. If both component indices are \(-1\), all components are connected.

The flow rate is a cubic function of time,

\[Q = Q_0 + Q_1(t - t_s) + Q_2(t-t_s)^2 + Q_3(t-t_s)^3,\]

where \(t_s\) is the beginning of the section that activates the switch (i.e., \(\texttt{SECTION_TIMES}\) at index \(\texttt{SECTION}\)).

The port indices are left out if \(\texttt{CONNECTIONS_INCLUDE_PORTS}\) is set to \(0\) and no unit operation with multiple ports is present in the system. If a unit operation with multiple ports is present, \(\texttt{CONNECTIONS_INCLUDE_PORTS}\) is ignored and port indices are mandatory.

The last three flow rate coefficients are left out if \(\texttt{CONNECTIONS_INCLUDE_DYNAMIC_FLOW}\) is set to \(0\). Contrary to the constant coefficient, which has the parameter name \(\texttt{CONNECTION}\), the other coefficients are named \(\texttt{CONNECTION_LIN}\), \(\texttt{CONNECTION_QUAD}\), and \(\texttt{CONNECTION_CUB}\), respectively.

For addressing the flow rates as a parameter senstivity, the mapping is as follows:

• \(\texttt{SENS_UNIT}\) Unused, always set to \(-1\)

• \(\texttt{SENS_BOUNDPHASE}\) UnitOpID from

• \(\texttt{SENS_REACTION}\) UnitOpID to

• \(\texttt{SENS_COMP}\) Port from

• \(\texttt{SENS_PARTYPE}\) Port to

• \(\texttt{SENS_SECTION}\) \(\texttt{SECTION}\) that activates the valve switch

Type: double

Range: \(\geq -1\)

Length: \(\{5,7,8,10\} \cdot \texttt{NCONNECTIONS}\)

Group /input/model/external/source_XXX - EXTFUN_TYPE = LINEAR_INTERP_DATA

VELOCITY

Velocity of the external profile in positive column axial direction. The velocity is normalized to a column with length 1, hence the unit \(\mathrm{s}^{-1}\).

Unit: \(\mathrm{s}^{-1}\)

Type: double

Range: \(\geq 0\)

Length: 1

DATA

Function values \(T\) at the data points

Unit: \([\mathrm{Ext}]\)

Type: double

Range: \(\mathbb{R}\)

Length: Arbitrary

TIME

Time of the data points

Unit: \(\mathrm{s}\)

Type: double

Range: \(\geq 0.0\)

Length: Same as \(\texttt{DATA}\)

Group /input/model/external/source_XXX - EXTFUN_TYPE = PIECEWISE_CUBIC_POLY

VELOCITY

Velocity of the external profile in positive column axial direction. The velocity is normalized to a column with length 1, hence the unit \(\mathrm{s}^{-1}\).

Unit: \(\mathrm{s}^{-1}\)

Type: double

Range: \(\geq 0\)

Length: 1

CONST_COEFF

Constant coefficients of piecewise cubic polynomial

Unit: \([\mathrm{Ext}]\)

Type: double

Range: \(\mathbb{R}\)

Length: Arbitrary

LIN_COEFF

Linear coefficients of piecewise cubic polynomial

Unit: \([\mathrm{Ext}]\,\mathrm{s}^{-1}\)

Type: double

Range: \(\mathbb{R}\)

Length: Same as \(\texttt{CONST_COEFF}\)

QUAD_COEFF

Quadratic coefficients of piecewise cubic polynomial

Unit: \([\mathrm{Ext}]\,\mathrm{s}^{-2}\)

Type: double

Range: \(\mathbb{R}\)

Length: Same as \(\texttt{CONST_COEFF}\)

CUBE_COEFF

Cubic coefficients of piecewise cubic polynomial

Unit: \([\mathrm{Ext}]\,\mathrm{s}^{-3}\)

Type: double

Range: \(\mathbb{R}\)

Length: Same as \(\texttt{CONST_COEFF}\)

SECTION_TIMES

Simulation times at which a new piece begins (breaks of the piecewise polynomial)

Unit: \(\mathrm{s}\)

Type: double

Range: \(\geq 0.0\)

Length: \(\texttt{CONST_COEFF}+1\)

Group /input/model/solver

GS_TYPE

Type of Gram-Schmidt orthogonalization, see IDAS guide Section~4.5.7.3, p.~41f. A value of \(0\) enables classical Gram-Schmidt, a value of 1 uses modified Gram-Schmidt.

Type: int

Range: \(\{0, 1\}\)

Length: 1

MAX_KRYLOV

Defines the size of the Krylov subspace in the iterative linear GMRES solver (0: \(\texttt{MAX_KRYLOV} = \texttt{NDOF}\))

Type: int

Range: \(\{0, \dots, \texttt{NDOF}\}\)

Length: 1

MAX_RESTARTS

Maximum number of restarts in the GMRES algorithm. If lack of memory is not an issue, better use a larger Krylov space than restarts.

Type: int

Range: \(\geq 0\)

Length: 1

SCHUR_SAFETY

Schur safety factor; Influences the tradeoff between linear iterations and nonlinear error control; see IDAS guide Section~2.1 and 5.

Type: double

Range: \(\geq 0\)

Length: 1

LINEAR_SOLUTION_MODE

Determines whether the system of models is solved in parallel (1) or sequentially (2). A sequential solution is only possible for systems without cyclic connections. The setting can be chosen automatically (0) based on a heuristic (less than 25 unit operations and acyclic network selects sequential mode). Optional, defaults to automatic (0).

Type: int

Range: \(\{ 0,1,2 \}\)

Length: 1