Introduction

Using property packages

The Matlab CAPE-OPEN Thermo Import package allows you to use CAPE-OPEN version 1.1 Property Packages that are configured at your system. A Property Package is a set of compounds, phases, and all relevant calculation methods pre-configured for a specific application. Hence, as you load a Property Package into Matlab, all compounds, phases and available properties are predefined. You cannot configure a Property Package from inside Matlab. Configuration of Property Packages is done using the tools of the underlying thermodynamic software. For example, when using COCO's thermodynamic engine TEA, you can configure new Property Packages by starting the ConfigureTEA application from the Start Menu. If you are using a different thermodynamic engine, please refer to its documentation on how to prepare and configure Property Packages.

Enumerating Property Packages

The Matlab CAPE-OPEN Thermo Import package supports Property Packages exposed by Property Package Managers (such as TEA) as well as stand-alone Property Packages. Use capeOpenPackageManagers to enumerate the Property Package Managers and stand-alone Property Packages at your system. For each Property Package Manager, you can obtain the exposed Property Packages using capeOpenPackages. Then, you can create package and obtain its handle using capeOpenGetPackage. The obtained package handle can be used in all subsequent calls for property and equilibrium calculations.

Mole and mass basis

A consistent use of mole and mass basis is assumed throughout the package. The default basis is mole, but you can switch back and forth between mole and mass basis using capeOpenSetBasis.

Matrix dimension conventions

For vectors and matrices, the convention is that columns refer to compounds. In property calculation calls that are simultaneously performed on multiple conditions, rows correspond to the multiple conditions. When calculation equilibria, the rows correspond to the present equilibrium phases. Exceptions to columns corresponding to compounds are:

getting the compound IDs from capeOpenCompounds; the compound IDs are returned as column vector for readability;
similarly, string properties returned from capeOpenCompoundConstant are column vectors;
when calculating properties that have the dimension of a matrix, e.g. diffusionCoefficient or fugacity.DmolFraction, the return value is a matrix for which both rows and columns correspond to compounds.