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CAPE-OPEN Discussions about use and implementation of the CAPE-OPEN standard 2021-11-14T17:22:27+00:00 http://cape-open-forum.org/feed.php?f=65&t=732 2021-11-14T17:22:27+00:00 2021-11-14T17:22:27+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2618#p2618 <![CDATA[Re: Thermo export property packages]]> MOSAICmodelling has been used to from the description through equations of the calculation method of the Unit Operation.

Statistics: Posted by colancto — 14 November 2021, 17:22

]]> 2021-10-28T07:52:11+00:00 2021-10-28T07:52:11+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2614#p2614 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by jasper — 28 October 2021, 07:52

]]> 2021-08-07T05:10:31+00:00 2021-08-07T05:10:31+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2599#p2599 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by tauha35 — 07 August 2021, 05:10

]]> 2021-08-03T11:06:31+00:00 2021-08-03T11:06:31+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2596#p2596 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by jasper — 03 August 2021, 11:06

]]> 2021-08-01T03:34:59+00:00 2021-08-01T03:34:59+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2595#p2595 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by tauha35 — 01 August 2021, 03:34

]]> 2021-07-30T09:27:13+00:00 2021-07-30T09:27:13+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2594#p2594 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by jasper — 30 July 2021, 09:27

]]> 2021-07-30T09:17:21+00:00 2021-07-30T09:17:21+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2593#p2593 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by tauha35 — 30 July 2021, 09:17

]]> 2021-07-29T06:51:17+00:00 2021-07-29T06:51:17+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2592#p2592 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by jasper — 29 July 2021, 06:51

]]> 2021-07-27T14:41:44+00:00 2021-07-27T14:41:44+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2591#p2591 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by tauha35 — 27 July 2021, 14:41

]]> 2021-07-27T07:31:44+00:00 2021-07-27T07:31:44+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2590#p2590 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by jasper — 27 July 2021, 07:31

]]> 2021-07-26T21:10:02+00:00 2021-07-26T21:10:02+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2588#p2588 <![CDATA[Re: Thermo export property packages]]> Statistics: Posted by tauha35 — 26 July 2021, 21:10

]]> 2021-07-26T14:05:09+00:00 2021-07-26T14:05:09+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2586#p2586 <![CDATA[Re: Thermo export property packages]]>
In any case, you could write a PhysicalPropertyCalculator in COBIA () - now you no longer have to worry about most of the complications that COM bring. Currently however, only a C++ binding is provided, so you cannot easily do this in FORTRAN, if FORTRAN is your language of choice.

Statistics: Posted by jasper — 26 July 2021, 14:05

]]> 2021-07-26T12:16:02+00:00 2021-07-26T12:16:02+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2585#p2585 <![CDATA[Re: Thermo export property packages]]>
The easiest route to using the Redlich-Keister mixing model in a PME would be learn the FORTRAN basics and then interface the FORTRAN subroutine with ASPEN as explained in this youtube video: https://www.youtube.com/watch?v=T_yecyAqD4Q

The other way is to fit the data to models already present in ASPEN or TEA and then model my process in a PME. I am not sure about the market but given Python's rise as a science and engineering field's programming language (if not MATLAB), a way to provide external subroutines written in Python to "configure TEA" would be of great benefit to chemical research engineers.

Statistics: Posted by tauha35 — 26 July 2021, 12:16

]]> 2021-07-25T10:14:59+00:00 2021-07-25T10:14:59+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2584#p2584 <![CDATA[Re: Thermo export property packages]]>
The only shortcut that I can think of is to provide a property calculation routine. This still requires creating a (COM, or COBIA) based object that implements at least ICapeThermoMaterialContext and ICapeThermoMaterialPropertyRoutine - if you not provide ICapeThermoPhases or ICapeThermoMaterialCompounds it uses the phases and compound provided by the MO passed to ICapeThermoMaterialContext. Also no need to implement phase equilibria. Not many applications support such property routines, but TEA does. You can add one by clicking on the Add button in the External Routines tab of a TEA configuration. Once added, it can be selected for the properties it supports (those that are listed by ICapeThermoMaterialPropertyRoutine::GetSinglePhasePropList). This should include LogFugacityCoefficient (and implement CalcAndGetLnPhi) with derivatives if you want TEA to use that for your phase equilibrium calculations.

It is not straight forward - but what you want to do here perhaps is not straight forward.

Statistics: Posted by jasper — 25 July 2021, 10:14

]]> 2021-07-23T21:44:40+00:00 2021-07-23T21:44:40+00:00 http://cape-open-forum.org/viewtopic.php?t=732&p=2582#p2582 <![CDATA[Re: Thermo export property packages]]> https://www.intechopen.com/chapters/41931 (Eq 12). i didn't find a way to achieve this from within "Configure TEA" although the pure components manager is more user-friendly and descriptive then ASPEN's when it comes to defining new components.

A thermo export type of code would allow users to supply custom user models for properties where needed using CAPE-OPEN framework similar to how MATLAB UOP modifies parameters defined in ASPEN.

Statistics: Posted by tauha35 — 23 July 2021, 21:44

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