PCDmanager Essential Data

Discusses use of COCO, the process simulation and modelling software suite from AmsterCHEM, downloadable from http://www.cocosimulator.org

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nrgeng
Posts: 239
Joined: 16 February 2013, 12:45
Location: USA

PCDmanager Essential Data

Post by nrgeng »

1.0 Background
  • 1.1 Nine pure component constants combine to form the Essential Properties [Ref 1, p.26] defined in PCDmanager. (Note: pp. 29 and 30 list 10.) When the Essential Properties in any panel are defined, then the red X (x) in the panel changes to a green √ (check mark) in the panel.
  • 1.2 The <Component>: panel has 3 Essential Properties (Name (added) , Index, and MW are in red), <Critical>: 5 (added Tb),: 2, <T Correlations>: 0 (excludes listed ideal gas heat capacity, IGCp), <Group Data>: 0, <EOS>: 0, and <Miscellaneous>: 0 (excludes listed Sp Gr); except that the Essential Properties required by PCDmanager (10) are different from the 10 cited in the reference.
  • 1.3 The <T Correlations> panel is green when PCDmanager opens. When the Essential Properties of Section 1.0 are added except IGCp, all of the panels are green after entering the specific gravity in the <Miscellaneous> panel and estimating the acentric factor (w) in the <Molecular> panel if not previously added.
2.0 Problem
  • 2.1 Once the <T Correlations> panel is opened and any temperature correlation is selected, all 17 correlations change to red, which is an extreme departure from the statement in the Manual (Ref 1, p. 26).
Notice the red X on four of the tab pages shown above, and the properties shown with their label in red (there
are others on the other tab pages not shown in this illustration). The properties in red are those considered
essential that are missing from this compound[']s data record."
  • 2.2 The <T Correlations> panel does not change to green after its only documented Essential Property, IGCp, is defined. Inconsistency is king here; why are Solid Density, Solid Heat Capacity, etc. in red, they are not defined as Essential Properties?
  • 2.3 Remarkably, a PCDmanager with only the <Component> panel completed (green) shows a green <T Correlations> panel, but shows a red <T Correlations> panel even after its only IGCp Essential Property is defined. Why?
PCDmanager is an important tool which is astonishing in its complexity, my comments are all meant to help make it even better than it already is.

Ref 1: ChemSep Tutorial: PCDmanager (2011)
hkooijman
Posts: 51
Joined: 13 April 2013, 23:50

Re: PCDmanager Essential Data

Post by hkooijman »

Thanks for the nice words, the blank screen for the plot should now not appear anymore. PCDman capabilities will be further extended in v7.00 (better fitting, pseudo generation, ...)
Harry
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