Learning Forum

[thansiyapa_gmail_com]

can i get help to define new species in ansys fluent

[Essence]

Hello,

Go to Materials in Outline View. Here, right click on the Solid or Fluid bar and click New. Now, you will see three options: Fluent Database, GRANTA MDS and User defined. Click on any of them which you want and you can see the list of materials you need.

[thansiyapa_gmail_com]

what i needed was to 

define new species ,for the following data
[biochemical parametrs]
biochemical    diffusion coefficient (m^2/s)
thrombin           6.47e-10
fibrinogen         3.10e-10       
fibrin                 2.47e-10

[Reaction kinetics parameters]
parameter      values       unit
Kcat                3.540        min^-1
Km                  3.160        nMol

[thansiyapa_gmail_com]

 

A
material > fluid or solid> there is no mass diffusivity ( diffusion coefficient (m^2/s))

so i tried
material > mixture> mass diffusivity ( diffusion coefficient (m^2/s))

but there are other parameters too coming, other than whats needed. i dont have those data. i am doing with reference to a research paper. the paper doesnt specifies those.

 

[thansiyapa_gmail_com]

 

B
another try i made was by importing chemkin file

1. Mechanism File (mechanism.inp)

ELEMENTS C H O N END
SPECIES thrombin fibrinogen fibrin END
REACTIONS
thrombin + fibrinogen => fibrin  3.540E0 0.0 3.160E-9
END

2. Thermodynamic Data File (therm.dat)

THERMO ALL 300.0 1000.0 5000.0
thrombin    C   3H   6O   6    G   300.00   5000.00 1000.00
1   2.34433112E+00 7.98052075E-03 -1.94781510E-05 2.01572094E-08 -7.37611761E-12
2   9.17935173E+03 6.83010238E+00 3.16826710E+00 2.48961905E-03 2.63977457E-06
3  -2.21479556E-09 6.69840188E-13 9.23082750E+03 3.48598420E+00
fibrinogen    C   3H   6O   6    G   300.00   5000.00 1000.00
1   2.34433112E+00 7.98052075E-03 -1.94781510E-05 2.01572094E-08 -7.37611761E-12
2   9.17935173E+03 6.83010238E+00 3.16826710E+00 2.48961905E-03 2.63977457E-06
3  -2.21479556E-09 6.69840188E-13 9.23082750E+03 3.48598420E+00
fibrin    C   3H   6O   6    G   300.00   5000.00 1000.00
1   2.34433112E+00 7.98052075E-03 -1.94781510E-05 2.01572094E-08 -7.37611761E-12
2   9.17935173E+03 6.83010238E+00 3.16826710E+00 2.48961905E-03 2.63977457E-06
3  -2.21479556E-09 6.69840188E-13 9.23082750E+03 3.48598420E+00
END
3. Transport Properties File (tran.dat)

thrombin D 6.47E-10
fibrinogen D 3.10E-10
fibrin D 2.47E-10


but its giving : 

Error: Please Enter CHEMKIN File Name

Error Object: #f

 

 

[thansiyapa_gmail_com]

 

 

so can u guide me…
Please help me in the next steps ,in continuation to whichever attempt/try (A or B)made- that you feels easy

 

 

[Essence]

Hello,

I would suggest you to option A. If you do not know the other property values, you could use recommended or default values in the Ansys guide.

[thansiyapa_gmail_com]

 

i defined my 3 things under mixtures, but what about chemical formula or stoitiometric ratio etc..where to find them. eg: here thrombin is not only N,O intsead other elements as well. how to add them

 

[Essence]

I would suggest you to refer Ansys guide for more information (section 48.5.28 and 48.5.29).

https://ansyshelp.ansys.com/account/secured?returnurl=/Views/Secured/corp/v232/en/flu_ug/flu_ug_materials_task_page.html%23flu_ug_Reactions

https://ansyshelp.ansys.com/account/secured?returnurl=/Views/Secured/corp/v232/en/flu_tg/flu_tg_magnus.html

[thansiyapa_gmail_com]

 

pardon me. i dont own or part of any company job. i am a student. its not opening up without these details and i am using student version. Can you help

 

[Essence]

If you are unable to access the link, follow this Forum discussion https://forum.ansys.com/forums/topic/using-help-with-links/#latest or https://forum.ansys.com/forums/topic/how-to-access-the-ansys-online-help/