Error in Defining REACTION Using Battery Gas Composition Ratio

[yoon119-gc]

Hello,

I am trying to reproduce and validate a paper that simulated 18650 battery fires using FDS (DOI: https://www.sciencedirect.com/science/article/pii/S0378775324004312#tbl1).

The paper provides gas composition ratios generated during the battery fire, and I want to use those values to define the &REAC line in FDS.

However, whenever I try to input the gas ratios into the reaction definition, I keep encountering errors.
Here is the reaction code that I wrote:

&SPEC ID='METHANE'/
&SPEC ID='ETHYLENE'/
&SPEC ID='ETHANE'/
&SPEC ID='HYDROGEN'/
&SPEC ID='SOOT'/
&SPEC ID='CARBON MONOXIDE'/
&SPEC ID='CARBON DIOXIDE'/
&SPEC ID='LFP_GAS',
   SPEC_ID(1)='METHANE',
   SPEC_ID(2)='ETHYLENE',
   SPEC_ID(3)='ETHANE',
   SPEC_ID(4)='HYDROGEN',
   SPEC_ID(5)='CARBON MONOXIDE',
   SPEC_ID(6)='CARBON DIOXIDE',
   VOLUME_FRACTION(1)=4.1,
   VOLUME_FRACTION(2)=6.8,
   VOLUME_FRACTION(3)=0.3,
   VOLUME_FRACTION(4)=30.9,
   VOLUME_FRACTION(5)=4.8,
   VOLUME_FRACTION(6)=53.0/

&REAC ID='Reaction1',
      FUEL='LFP_GAS',
      SPEC_ID_NU='ETHANE','METHANE','CARBON MONOXIDE','ETHYLENE','HYDROGEN','CARBON DIOXIDE',
      NU=0.3,4.1,4.8,6.8,30.9,53.0/

My main questions are:

1. Is it possible to define the &REAC line in FDS based on experimentally measured gas composition ratios (instead of using the standard fuel definitions)?

2. If so, what might be the issue with my reaction code?

Any advice would be greatly appreciated.

Thank you!