[Vaibhavk]

Hello!
I desire to set up a case for biodiesel simulation in Converge CFD. I have the compositions (FAME) of which biodiesel is to be prepared along with their wt%. Compounds are Oleic acid C18H34O2, Linoleic Acid C18H32O2, Palmitic Acid C16H32O2, Behenic acid C18h34o2.
I have already checked mech.dat and therm.dat files provided by famous labs like LLNL, Wisconsin Madison, Argonne Lab but failed to find the desired compounds in reaction mechanism and therm files.
I would be grateful for any guidance and help.

[azandian]

Originally Posted by Vaibhavk

Hello!
I desire to set up a case for biodiesel simulation in Converge CFD. I have the compositions (FAME) of which biodiesel is to be prepared along with their wt%. Compounds are Oleic acid C18H34O2, Linoleic Acid C18H32O2, Palmitic Acid C16H32O2, Behenic acid C18h34o2.
I have already checked mech.dat and therm.dat files provided by famous labs like LLNL, Wisconsin Madison, Argonne Lab but failed to find the desired compounds in reaction mechanism and therm files.
I would be grateful for any guidance and help.

Hi Vaibhav;

Here are a couple of reduced models for biodiesel that I would refer you to:

- Development of a skeletal mechanism for biodiesel blend surrogates with varying fatty acid methyl esters proportion
https://www.sciencedirect.com/scienc...06261915013173

- Development of a Reduced n-Decane/α-Methylnaphthalene/Polycyclic Aromatic Hydrocarbon Mechanism and Its Application for Combustion and Soot Prediction
https://pubs.acs.org/doi/abs/10.1021...yfuels.6b02186

The first one is using methyl linoleate (C19) as one of the surrogates which probably fits your need. The second one is using α-methylnaphthalene which is C11.

[Alireza_Kakoee]

dear Arash
I am working on developing naturalgas/diesel mechanism to use in IC engines, in some researches a 1516 reaction mechanism was used that developed by Gail et, al,.
could you please provide biodiesel mechanism if you have, it should be noted that I have LLnL mechanism

bests

[azandian]

Originally Posted by Alireza_Kakoee

dear Arash
I am working on developing naturalgas/diesel mechanism to use in IC engines, in some researches a 1516 reaction mechanism was used that developed by Gail et, al,.
could you please provide biodiesel mechanism if you have, it should be noted that I have LLnL mechanism

bests

Hi Alireza,

Here are a few biodiesel mechanisms that you might find useful. I am sharing the literature below:

1) Development of a reduced biodiesel surrogate model for compression ignition engine modeling
https://www.sciencedirect.com/scienc...40748912000910
This one has 145 species with 869 reactions.

2) Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate
https://www.sciencedirect.com/scienc...10218009003058
This one is a big mechanism with 3299 species, and 10806 reactions.

3) Development of a skeletal oxidation mechanism for biodiesel surrogate
https://www.sciencedirect.com/scienc...26X?via%3Dihub
This one has 61 species with 172 reactions.

[zidane]

Originally Posted by azandian

Hi Vaibhav;

Here are a couple of reduced models for biodiesel that I would refer you to:

- Development of a skeletal mechanism for biodiesel blend surrogates with varying fatty acid methyl esters proportion
https://www.sciencedirect.com/scienc...06261915013173

- Development of a Reduced n-Decane/α-Methylnaphthalene/Polycyclic Aromatic Hydrocarbon Mechanism and Its Application for Combustion and Soot Prediction
https://pubs.acs.org/doi/abs/10.1021...yfuels.6b02186

The first one is using methyl linoleate (C19) as one of the surrogates which probably fits your need. The second one is using α-methylnaphthalene which is C11.

Dear Mr. Arash.
I have a similar problem with Mr. Vaibhavk. I want to construct the biodiesel fuel in the converge simulation program. Since I am a beginner at using this program, I find it difficult to make a new fuel database on my own. I have asked a request on Converge employe to assist me to construct bio-diesel fuel data base. after asking the detail about the fuel, I have got no more response from them. the structure of biodiesel I use is very similar to Mr. Vaibhavk's.

[motoxu]

Originally Posted by zidane

Dear Mr. Arash.
I have a similar problem with Mr. Vaibhavk. I want to construct the biodiesel fuel in the converge simulation program. Since I am a beginner at using this program, I find it difficult to make a new fuel database on my own. I have asked a request on Converge employe to assist me to construct bio-diesel fuel data base. after asking the detail about the fuel, I have got no more response from them. the structure of biodiesel I use is very similar to Mr. Vaibhavk's.

did you get it?