<commit_before>// rate library for f13: 1,3 insertion for CO2



// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP

Arrhenius_EP



//f13_1,3_insertion_CO2
// C<NAME> Thesis pg 130

// [87] Sumathi et al (2003) - CBS-QB3 calculations. 

// rate constants from rate_library_4.txt, Cath, 03/07/28

//No.		CO2			RR'				Temp.		A			n	a		E0		DA		Dn		Da		DE0		Rank	Comments
571.		CO2			RR'				300-1500	1E+05		2		0		75		0		0		0		0		0	Default
572.		CO2_Cdd		H2				300-1500	1.51E+09	1.23	0		73.9	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
573.		CO2_Cdd		C_methane		300-1500	4.53E+03	2.83	0		79.2	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
574.		CO2_Cdd		C_pri/NonDeC	300-1500	1.09E+04	2.56	0		76.6	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
575.		CO2_Cdd		C/H2/NonDeC		300-1500	1.06E+05	2.13	0		77.0	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
576.        CO2_Od      C_methyl_C_pri  300-1500    7.3E+1      3.13    0       1180.0  0       0       0       0       4   Aaron Vandeputte calculation for methylpropanate using BMK/CBSB7
 <commit_msg>Fixing typo in 1,3 CO2 insertion<commit_after>// rate library for f13: 1,3 insertion for CO2



// JS, define key word for format of the rate: either Arrhenius or Arrhenius_EP

Arrhenius_EP



//f13_1,3_insertion_CO2
// Catherina Wijaya Thesis pg 130

// [87] Sumathi et al (2003) - CBS-QB3 calculations. 

// rate constants from rate_library_4.txt, Cath, 03/07/28

//No.		CO2			RR'				Temp.		A			n	a		E0		DA		Dn		Da		DE0		Rank	Comments
571.		CO2			RR'				300-1500	1E+05		2		0		75		0		0		0		0		0	Default
572.		CO2_Cdd		H2				300-1500	1.51E+09	1.23	0		73.9	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
573.		CO2_Cdd		C_methane		300-1500	4.53E+03	2.83	0		79.2	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
574.		CO2_Cdd		C_pri/NonDeC	300-1500	1.09E+04	2.56	0		76.6	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
575.		CO2_Cdd		C/H2/NonDeC		300-1500	1.06E+05	2.13	0		77.0	0		0		0		0		2	[87]CBS-QB3 calculations from Sumathi 2003.
576.        CO2_Od      C_methyl_C_pri  300-1500    7.3E+1      3.13    0       118.0  0       0       0       0       4   <NAME> calculation for methylpropanate using BMK/CBSB7
 
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