PCDmanager T-Correlation Plots

[nrgeng]

• How to show plots after following instructions in Appendix B: Pure Compound Data Text Files of ChemSep Tutorial: PCDmanager? Why did no plots show when I imported a text file that was just exported, with plots; chose an estimate (CpIG, Perry); and clicked [Apply]? All seven tabs are green for essential data check. How to activate plotting?

• Upon starting PCDmanager two messages are shown consecutively:

  Information Window: Failed to register C:\Program Files\ChemSepL6v96\bin\ChemSepUO.dllin HKLM

  Information Window: ChemSep selected new paths. Do you want to save the new path configuration

• Use of [Fit] button? Also how to reset fit iterations (counted to 22)?

[hkooijman]

It is not clear what you are asking exactly nor trying to accomplish, but I will try to help you as much as possible:

- to have a plot showing all the required coefficients and Tminimum+Tmaximum must be entered. No plots will show if you don't. It is not clear whether you are trying to get a plot for a new compounds T correlation or whether you got it, exported it, and then are trying to re-import it for some reason. Being more clear in your intentions will allow me to help you.

- typing data on the imports panel directly in the edit window currently doesn't yet convert it to data on the plot, as it still needs implementation. Here you have to realize that these panels are still in the progress of being further developed (where needed). Similarly, there is a bug in the ability to save plots on the < Import > tab panel; I have logged it as a low priority bug.

- items on the < = > panel are for plotting with the "plot" command in ChemSep (only).

- the fit iteration count can be reset by switching to another T correlation or component.

- the messages you mention seem to indicate that you didn't install ChemSep properly somehow. First try de-install ChemSep and then to download ChemSep LITE from the http:/www.chemsep.org site and run the installation. If you are the only user, you do not need to install for everybody on the machine, the advantage being that you don't need system admin priviledges under Win Vista/7/8. If these messages persist, please let me know.

Harry

[nrgeng]

Thanks for your helpful suggestions and rapid response to my questions. I will provide my logical (?) process in what follows.

(Resp1) For my first time, I am adding a new compound to the databank. In a component-less PCDmanager, I added one new component, Compound W. {NB: your literature interchanges the words compound and component so I will too.} To avoid any frustration in not being able to use a newly added compound, I created a simple test; I configured a minimum amount of fields to obtain green essential data, saved the pcd file, exported a txt file (same as a pct file in Notepad), then imported the txt file. To my surprise-NO plots! So here we are, my previous first question.

and then are trying to re-import it for some reason.

The reason is to test the portability of newly configured components.

PCDmanager Tutorial-PCDmanager can export property data to text files. An advantage of text files is that they can be read (or created) by many different programs. PCDmanager can also import property data from a file with the correct format.

When the Compound W txt file is imported into a component-less PCDmanager, no plotting functionality exists within PCDmanager. This is of significance to me for my efforts. In retrospect, a good test to avoid major frustration. Why spend hours in configuring a new component and then not be able to retrieve it! That is my current situation. Why was not the required plotting information contained in the exported Compound W txt file so that when the Compound W txt file was imported the plots were available. In does does not equal out, since the exported information was not returned upon import. I expected the plotting information to be imported since I assumed that it was exported. What happened to it?

The <Table>, <Settings>, <Data>, and < = > panels are all populated with data, but no plots show. I apologize for asking, but could the txt file export have a bug?

(Resp2) I have not experienced any problems (as a novice) with the <Import> panel, but thanks for the development information.

(Resp3) The Fit iteration resets as you stated, but the plotted curve does not. How can the curve be reset? I am familiar with R2, but what are the s(1) through s(4) regression statistics?