2 replies to this topic

[amitray]

I have to do a simulation on TBP and i tried to get properties of TBP using Aspen. But I am getting this errors

WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE JOBACK METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

128 1 121 3
100 3 101 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE LYDERSEN METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

130 1 100 3
101 9 123 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE FEDORS METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

115 3 100 3
101 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE AMBROSE METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 12 106 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE GANI METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE BENSON METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 3 101 6
211 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE BENSONR8 METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 3 101 6
211 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE LI-MA METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

158 3 234 3
235 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE LEBAS METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

105 3 102 1
101 27 100 12

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE PARACHOR METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

119 1 115 3
101 9 100 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE REICHENB METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 3 101 9
118 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE ORRICK-E METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

115 3 100 12

->Aspen Properties setup completed


->Processing input specifications ...

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE JOBACK METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

128 1 121 3
100 3 101 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE LYDERSEN METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

130 1 100 3
101 9 123 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE FEDORS METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

115 3 100 3
101 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE AMBROSE METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 12 106 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE GANI METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

1015 3 1010 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE BENSON METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 3 101 6
211 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE BENSONR8 METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 2 O 3 O 4 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 3 101 6
211 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE LI-MA METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

158 3 234 3
235 9

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE LEBAS METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

105 3 102 1
101 27 100 12

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE PARACHOR METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

119 1 115 3
101 9 100 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE REICHENB METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

100 3 101 9
118 3

* WARNING IN PHYSICAL PROPERTY SYSTEM
FUNCTIONAL GROUP GENERATION FOR THE ORRICK-E METHOD CANNOT BE COMPLETED
FOR COMPONENT TBP. THE FOLLOWING ATOMS WERE NOT MATCHED:
P 1 O 5

THE FUNCTIONAL GROUPS GENERATED
GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR.

115 3 100 12

->Aspen Properties setup completed

Kindly help me in this regard.

[MrShorty]

I'm not sure that I can help much. Basically, those errors are triggered because those estimation methods (UNIFAC, Joback, etc.) don't know how to handle the phosphorous/phosphate group. I would expect that there are very few estimation methods that can handle the P group, and those that can may be only for very specific properties, or may be limited to inorganic phosphorous compounds, or may be poorly tested.

That's why you are getting the errors. What to do about it? It's very hard to say. Depending on the specifics of your distillation, some of the quantities being estimated may not be that important. Then you can focus your research towards getting those properties that are important to the simulation.

[amitray]

Sir, Thanks for the reply. I am having the UNIFAC parameters and interaction parameters of TBP. Whether that can be of any help to determine the properties of TBP.