A new physical properties library for OpSim

[Darius Blaszyk]

Hi all,

I just uploaded a new post on the OpSim website regarding the physical property library for OpSim.

http://opsim.sourceforge.net/?p=89

Have fun reading and please comment!

Regards, Darius

[Matt Henley]

I havn't had a chance to look at OpSim recently, but you mentioned sources for Physical Properties.  When I was working on OpSim, I purchased a copy of "Properties of Gases & Liquids, 5th ed" by Reid, Prausnitz and Poling for the Physical properties correlations.  If/When I get time, I will see if there are some that i can enter.  What format is this information stored in? 

Also, if you would like any of the data I can scan and send tables to you.

Matt Henley

[Hazem]

I can give you that in an Excel spreadsheet

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Date: Thu, 25 Aug 2016 09:28:18 -0700
From: nwm...@gmail.com
To: op...@googlegroups.com
CC: opsim...@lists.sourceforge.net; opsim-de...@lists.sourceforge.net; opsim...@lists.sourceforge.net
Subject: Re: A new physical properties library for OpSim

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[Darius Blaszyk]

Hi Matt and Hazem,

 

It would be great to receive something in electronic format preferably. The properties are stored in JSON format which is human readable and can easily be written to by a script.I am working on a GUI, but I realize that for bulk work perhaps an excel file would be more appropriate for faster manipulation and reading of tables from another excel spreadsheet. The original JSON files were also created by me via an excel file, therefore I will see if I can find this file this afternoon and commit it to trunk so others can use it as well.

The prop definition files are located here: https://sourceforge.net/p/opsim/code/HEAD/tree/trunk/src/engine/physprops/components/

Regards, Darius

[Hazem]

There are several tabs in this spreadsheet.  Tab "4th" has the database in the 4th edition of the properties of gases ad liquids while tab 5th contains a combined list of the databases  in the 4th edition and the 5th edition.   See notes at the bottom of tab "5th" and let me know if you have any questions.  

The tab DIPPR contains DIPPR components as published in Perry's.

The rest of the tabs contain regression analysis I tried to do myself.

Regards,

Hazem

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Date: Thu, 25 Aug 2016 23:53:54 -0700
From: dhkbl...@gmail.com
To: op...@googlegroups.com
CC: opsim...@lists.sourceforge.net; opsim-de...@lists.sourceforge.net; opsim...@lists.sourceforge.net; hazem_...@hotmail.com

Subject: Re: A new physical properties library for OpSim

[Daniel]

Hi Darius,

I have a few questions (just curious):

1 - What is your knowledge about current free/open source process simulator offerings? Do you know about COCO, DWSIM, etc?

2 - Do you know about CAPE-OPEN? If yes, do intend to implement CAPE-OPEN interfaces on OpSim?

3 - Do you know about ChemSep? It has a freely distributed LITE version with a physical properties library with data for more than 400 compounds released under the Perl Artistic License.

I see your posts about some things you are developing and I keep thinking that you are just reinventing the wheel. There are lots of things freely available on the web that you can just pick right away and save a lot of work on your side. I know that doing the coding part is where the fun is, though... :-)

All the best,

Daniel

[Darius Blaszyk]

Thanks! Will have a look at it over the weekend. 

[Darius Blaszyk]

Hi Daniel,

Thanks for your mail. In answer to your questions; yes, I do know about COCO and DWSIM, although I never used them in a production environment, but rather have tested and played with the software. I have heard about CAPE-OPEN earlier and I find it a very interesting concept, though adherence to the standard is not a first priority for the project right now. Once we will have a basic working version we will look at creating an API that is CO compliant. That should not be too hard, although some internals might need to be refactored to get everything working properly, but we will deal with it when we get there.

As for ChemSep; I did come across it once earlier, but never installed it. Thanks for pointing that one out to me. However according to the license I am not allowed to distribute a "modified version" of the software. So that would prohibit me to use it in OpSim as we need to convert it to our own file format. Damned licences! :)

OpSim is an effort to create an open source platform independent simulator, like DWSIM is. However OpSim will also be available on the Mac platform and in the flavors 32 and 64 bit. Because of that, and to reduce the amount of dependencies, OpSim will implement as much as possible libraries internally. So there is a function to it, though admittedly it's fun as well! :) No worries though, in the future I will also implement plugin capability to OpSim so users can add their own libraries as well. Out of the box though OpSim should offer much of the typically needed functionality.

Regards, Darius

[Daniel]

Hi Darius,

Thanks for the answers.

Implementing CAPE-OPEN is not easy at all. I had to refactor a lot of my code at the time. I suggest you to take a look at this paper just to get some ideas on how to implement your classes (unit operations, property packages, material stream, etc.): https://www.researchgate.net/publication/220341741_Development_of_a_chemical_process_modeling_environment_based_on_CAPE-OPEN_interface_standards_and_the_Microsoft_NET_framework

Even if you don't implement CAPE-OPEN funcionality, the interface definitions have pretty much everything you'll need to get a basic process simulator working.

As for ChemSep, I think that you don't need to refactor anything. Just create a component that reads its XML file and store the data in-memory according to your class structure. This way you can distribute the file without modifying it. I used to have my own database in DWSIM but now ChemSep's one is the "de-facto" property provider.

I believe that I understand the fun you're having more than anyone here... I wish you all the best and please don't give up when you get stuck at some point, because you will eventually. Just change your focus and come back to where you stopped after you have more knowledge about it. This usually takes some years for me in DWSIM (i.e. for electrolytes, phase envelopes and some more advanced stuff).

Regards,

Daniel

[Daniel]

Here is a better link for the paper: http://www.sciencedirect.com/science/article/pii/S009813540500219X

[Hazem]

Darius,

The use of Yaws should be a last resort.  It is strongly believed that he took shortcuts.  

Regards,

Hazem

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Date: Fri, 26 Aug 2016 06:57:47 -0700

From: dhkbl...@gmail.com
To: op...@googlegroups.com
CC: opsim...@lists.sourceforge.net; opsim-de...@lists.sourceforge.net; opsim...@lists.sourceforge.net; hazem_...@hotmail.com
Subject: Re: A new physical properties library for OpSim

Thanks! Will have a look at it over the weekend.