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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`

Number of unit operations in the system

Type:double

Length:\(\texttt{NDOF}\)

`INIT_STATE_SENSYDOT_XXX`

Initial full state vector of the \(\texttt{XXX}\) th sensitivity system (optional, unit operation specific initial data is ignored)

Type:double

Length:\(\texttt{NDOF}\)

`NUNITS`

Initial full time derivative state vector of the \(\texttt{XXX}\) th sensitivity system (optional, unit operation specific initial data is ignored)

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 6 unit operations and acyclic network selects sequential mode). Optional, defaults to automatic (0).

Type:int

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

Length:1