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Accessibility information
Author(s):   Caridade, P.JSB.; Rodrigues, S.PJ.; Sousa, F.; Varandas, A.JC.
Title:   Unimolecular and bimolecular calculations for HN2
Journal:   J. Phys. Chem. A
Volume:   109
Page(s):   2356 - 2363
Year:   2005
Comments:   Error in entries fixed January 3, 2012. deleted N2 + H· → NH + N with A=0.03 n=.00623 E=-74400K which was equil const not rate constant also changed N2+H=N+N+H 7.57E14,-0.2, 2.73eE4 to NH+H=N+N+H. Wrong reaction used (difficult to discern in paper).
Reference type:   Journal article
Squib:   2005CAR/ROD2356-2363

Reaction:   N2 + NH + N
Reaction order:   2
Temperature:   300 - 2.50E4 K
Rate expression:   5.27x10-10 [cm3/molecule s] (T/298 K)0.50 e-619087 [J/mole]/RT
Category:  Theory
Data type:   Other theoretical
Comments:   1) Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on the determination of bimolecular (N + NH and H + N2) and unimolecular (decomposition of HN2) rate constants as well as the relevant equilibrium constants. 2) Rate expression derived from theoretical equilibrium constant.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 8.57E-118
400 8.78E-91
500 1.45E-74
600 9.53E-64
700 5.15E-56
800 3.27E-50
900 1.08E-45
1000 4.45E-42
1100 4.06E-39
1200 1.19E-36
1300 1.47E-34
1400 9.12E-33
1500 3.27E-31
1600 7.52E-30
1700 1.20E-28
1800 1.40E-27
1900 1.27E-26
2000 9.27E-26
2100 5.59E-25
2200 2.87E-24
2300 1.28E-23
2400 5.03E-23
2500 1.77E-22
2600 5.69E-22
2700 1.68E-21
2800 4.57E-21
2900 1.16E-20
3000 2.78E-20
3100 6.30E-20
3200 1.36E-19
3300 2.79E-19
3400 5.49E-19
3500 1.04E-18
3600 1.91E-18
3700 3.38E-18
3800 5.82E-18
3900 9.75E-18
4000 1.59E-17
4100 2.54E-17
4200 3.96E-17
4300 6.05E-17
4400 9.07E-17
4500 1.34E-16
4600 1.93E-16
4700 2.76E-16
4800 3.88E-16
4900 5.38E-16
5000 7.36E-16
5100 9.96E-16
5200 1.33E-15
5300 1.76E-15
5400 2.31E-15
5500 2.99E-15
5600 3.84E-15
5700 4.90E-15
5800 6.19E-15
5900 7.76E-15
6000 9.65E-15
6100 1.19E-14
6200 1.46E-14
6300 1.79E-14
6400 2.17E-14
6500 2.61E-14
6600 3.13E-14
6700 3.73E-14
6800 4.42E-14
6900 5.22E-14
7000 6.14E-14
7100 7.18E-14
7200 8.36E-14
7300 9.70E-14
7400 1.12E-13
7500 1.29E-13
7600 1.48E-13
7700 1.69E-13
7800 1.93E-13
7900 2.19E-13
8000 2.48E-13
8100 2.80E-13
8200 3.15E-13
8300 3.54E-13
8400 3.96E-13
8500 4.42E-13
8600 4.92E-13
8700 5.47E-13
8800 6.06E-13
8900 6.70E-13
9000 7.40E-13
9100 8.15E-13
9200 8.95E-13
9300 9.82E-13
9400 1.08E-12
9500 1.17E-12
9600 1.28E-12
9700 1.40E-12
9800 1.52E-12
9900 1.65E-12
10000 1.78E-12
10100 1.93E-12
10200 2.08E-12
10300 2.25E-12
10400 2.42E-12
10500 2.61E-12
10600 2.80E-12
10700 3.00E-12
10800 3.22E-12
10900 3.44E-12
11000 3.68E-12
11100 3.93E-12
11200 4.19E-12
11300 4.47E-12
11400 4.75E-12
11500 5.05E-12
11600 5.37E-12
11700 5.69E-12
11800 6.03E-12
11900 6.39E-12
12000 6.76E-12
12100 7.14E-12
12200 7.55E-12
12300 7.96E-12
12400 8.39E-12
12500 8.84E-12
12600 9.31E-12
12700 9.79E-12
12800 1.03E-11
12900 1.08E-11
13000 1.13E-11
13100 1.19E-11
13200 1.25E-11
13300 1.31E-11
13400 1.37E-11
13500 1.43E-11
13600 1.49E-11
13700 1.56E-11
13800 1.63E-11
13900 1.70E-11
14000 1.77E-11
14100 1.85E-11
14200 1.92E-11
14300 2.00E-11
14400 2.08E-11
14500 2.17E-11
14600 2.25E-11
14700 2.34E-11
14800 2.43E-11
14900 2.52E-11
15000 2.61E-11
15100 2.71E-11
15200 2.81E-11
15300 2.91E-11
15400 3.01E-11
15500 3.12E-11
15600 3.23E-11
15700 3.34E-11
15800 3.45E-11
15900 3.56E-11
16000 3.68E-11
16100 3.80E-11
16200 3.92E-11
16300 4.05E-11
16400 4.18E-11
16500 4.31E-11
16600 4.44E-11
16700 4.57E-11
16800 4.71E-11
16900 4.85E-11
17000 4.99E-11
17100 5.13E-11
17200 5.28E-11
17300 5.43E-11
17400 5.58E-11
17500 5.74E-11
17600 5.90E-11
17700 6.05E-11
17800 6.22E-11
17900 6.38E-11
18000 6.55E-11
18100 6.72E-11
18200 6.89E-11
18300 7.07E-11
18400 7.24E-11
18500 7.43E-11
18600 7.61E-11
18700 7.79E-11
18800 7.98E-11
18900 8.17E-11
19000 8.37E-11
19100 8.56E-11
19200 8.76E-11
19300 8.96E-11
19400 9.16E-11
19500 9.37E-11
19600 9.58E-11
19700 9.79E-11
19800 1.00E-10
19900 1.02E-10
20000 1.04E-10
20100 1.07E-10
20200 1.09E-10
20300 1.11E-10
20400 1.13E-10
20500 1.16E-10
20600 1.18E-10
20700 1.20E-10
20800 1.23E-10
20900 1.25E-10
21000 1.28E-10
21100 1.30E-10
21200 1.33E-10
21300 1.35E-10
21400 1.38E-10
21500 1.40E-10
21600 1.43E-10
21700 1.46E-10
21800 1.48E-10
21900 1.51E-10
22000 1.54E-10
22100 1.56E-10
22200 1.59E-10
22300 1.62E-10
22400 1.65E-10
22500 1.67E-10
22600 1.70E-10
22700 1.73E-10
22800 1.76E-10
22900 1.79E-10
23000 1.82E-10
23100 1.85E-10
23200 1.88E-10
23300 1.91E-10
23400 1.94E-10
23500 1.97E-10
23600 2.00E-10
23700 2.03E-10
23800 2.06E-10
23900 2.10E-10
24000 2.13E-10
24100 2.16E-10
24200 2.19E-10
24300 2.22E-10
24400 2.26E-10
24500 2.29E-10
24600 2.32E-10
24700 2.36E-10
24800 2.39E-10
24900 2.42E-10
25000 2.46E-10