Table II Oxidation of propene: Effect of adding acetaldehyde on product selectivities in CSTR flow system. Simulated
results in parenthesis. Species not included in the reaction scheme are indicated by an asterisk.
C3H6/O2/N2 C3H6/O2/N2/CH3CHO C3H6/O2/N2 C3H6/O2/N2/CH3CHO
(%) 56.1/7.1/36.8 61.0/7.0/30.2/1.8 34.2/5.1/60.7 34.0/4.6/60.0/1.4
Pressure (bar) 15.6 15.7 53.5 54.5
Residence time (s) 50 100 30 36
Temperature (K) 541(549) 522(529) 527(553) 505(540)
Reactor volume (dm3) 2.0 2.0 1.0 1.0
CO 12.8(5.6) 13.8(4.9) 9.0(4.5) 4.9(4.6)
CO2 10.1(8.3) 8.6(11.2) 9.9(8.8) 9.7(12.2)
HCHO 3.6(9.8) 3.4(6.7) 6.2(8.1) 6.0(5.7)
HCO2H 2.0(1.1) 2.0(1.2) 1.1(1.8) 0.4(1.4)
CH3OH 4.7(2.3) 5.8(4.1) 2.8(2.0) 7.4(4.4)
CH3CHO 15.9(11.3) 1.2(-7.5) 16.7(8.8) 0.6(-13.5)
C3H6O 32.9(37.9) 41.0(45.1) 31.9(39.4) 45.4(47.5)
C3H6O derivativesa 7.7 12.3 7.0 7.7
C2H3CHO + C2H5CHO 3.6(0.5) 2.3(0.4) 4.0(0.3) 6.0(0.3)
CH3COCH3 1.6* 1.1* 2.0* 3.3*
C3H5OH 3.8(2.4) 5.4(3.3) 4.1(3.4) 4.1(3.6)
methyl formate 0.3* 1.2* 0.8* 1.4*
CH4 0.0(0.06) 0.0(0.2) 0.0(0.08) 0.0(0.2)
1,5-C6H10 0.5(3.5) 1.2(2.9) 0.8(2.9) 1.4(2.0)
total peroxides 0.3(15.0) 0.4(21.0) 3.3(17.4) 1.0(23.2)
other 0.2(2.2) 0.3(6.6) 0.4(2.5) 0.7(8.5)
d[O2]/[O2] (%) 73(73) 70(70) 72(72) 70(70)
d[C3H6]/[C3H6] (%) 5.8(7.3) 7.1(6.0) 6.6(8.5) 5.1(7.8)
a C3H6O derivatives are thought to be formed in the condensed phase from propene oxide produced in the gas phase