Fraction of Initial OH Abstraction from Decane Nitrate Isomers

fraction of initial oh abstraction from each n.w
1 / 17
Embed
Share

Explore the fraction of initial OH abstraction from each carbon for different decane nitrate isomers through experimental SOA yields and isomer fates. Analyze the reactions and yields of decane nitrate isomers with GECKO-A model, including SOA yields over 2-3 generations with various chemical pathways.

  • OH Abstraction
  • Decane Nitrate
  • Isomer
  • Experimental Yields
  • GECKO-A Model
rayaanacharya
adi_tem Follow

Uploaded on | 0 Views

Download Presentation

Please find below an Image/Link to download the presentation.

The content on the website is provided AS IS for your information and personal use only. It may not be sold, licensed, or shared on other websites without obtaining consent from the author. If you encounter any issues during the download, it is possible that the publisher has removed the file from their server.

You are allowed to download the files provided on this website for personal or commercial use, subject to the condition that they are used lawfully. All files are the property of their respective owners.

Download Presentation

The content on the website is provided AS IS for your information and personal use only. It may not be sold, licensed, or shared on other websites without obtaining consent from the author.

E N D

Presentation Transcript

  1. Fraction of initial OH abstraction from each carbon for every decane-nitrate isomer

  2. GECKO-A Experimental soa yields & isomer fates: 2-3gen DHF 1.0 ISOM 0.9 DINITR 0.8 0.7 CYCLIC HEMIACETALS 0.6 HYDROXY-CARBONYL 0.5 NITRATE-CARBONYL 0.4 CARBONYL 0.3 DECOMP 0.2 [SOA]/d[gas] 0.1 mass_SOA/d_mass_gas 0.0 1 2 3 4 5 OH-reactivity of positions in decane-nitrates 1.2E-11 1.0E-11 8.0E-12 6.0E-12 4.0E-12 2.0E-12 0.0E+00 1 2 3 4 5 1 2 3 4 5 6 7 8 9 10

  3. decan-1-nitrate 2g DHF : @60m decan-2-nitrate 2g DHF : @60m decan-3-nitrate 2g DHF : @60m 2.00E+13 1.60E+13 1.40E+13 1.80E+13 1.40E+13 1.20E+13 1.60E+13 DECOMP DECOMP DECOMP 1.20E+13 1.00E+13 1.40E+13 CARBONYL CARBONYL CARBONYL 1.00E+13 1.20E+13 8.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL NITRATE-CARBONYL 1.00E+13 8.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL HYDROXY-CARBONYL 6.00E+12 8.00E+12 6.00E+12 CYCLIC HEMIACETALS CYCLIC HEMIACETALS CYCLIC HEMIACETALS 6.00E+12 4.00E+12 4.00E+12 DINITR DINITR DINITR 4.00E+12 2.00E+12 ISOM ISOM ISOM 2.00E+12 2.00E+12 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total decan-4-nitrate 3g DHF : @60m decan-5-nitrate 3g DHF : @60m 1.60E+13 1.40E+13 1.40E+13 1.20E+13 DECOMP DECOMP 1.20E+13 1.00E+13 CARBONYL CARBONYL 1.00E+13 8.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 8.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 6.00E+12 6.00E+12 CYCLIC HEMIACETALS CYCLIC HEMIACETALS 4.00E+12 4.00E+12 DINITR DINITR 2.00E+12 ISOM ISOM 2.00E+12 0.00E+00 0.00E+00 gas aer wall total gas aer wall total

  4. decan-3-nitrate SOA yields (2G DHF) decan-1-nitrate SOA yields (2G DHF) decan-2-nitrate SOA yields (2G DHF) 0.9 2.0E+13 1.2 1 2.0E+13 2.0E+13 0.8 1 0.8 0.7 1.5E+13 1.5E+13 1.5E+13 0.6 0.8 0.6 0.5 1.0E+13 0.6 1.0E+13 1.0E+13 0.4 0.4 0.3 0.4 5.0E+12 5.0E+12 5.0E+12 0.2 0.2 0.2 0.1 0 0.0E+00 0 0 0.0E+00 0.0E+00 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield decan-4-nitrate SOA yields (3G DHF) decan-5-nitrate SOA yields (3G DHF) 0.7 2.0E+13 0.8 2.0E+13 SOA yields after 2-3 generations of chemistry WITH cyclization 0.7 0.6 1.5E+13 0.6 1.5E+13 0.5 0.5 0.4 1.0E+13 0.4 1.0E+13 0.3 0.3 0.2 5.0E+12 0.2 5.0E+12 0.1 0.1 0 0.0E+00 0 0.0E+00 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield

  5. decan-3-nitrate SOA yields: 1g DHF decan-1-nitrate SOA yields: 1g DHF decan-2-nitrate SOA yields: 1g DHF 0.8 1.4E+13 1 0.8 1.4E+13 1.4E+13 0.7 1.2E+13 0.7 1.2E+13 1.2E+13 0.8 0.6 0.6 1.0E+13 1.0E+13 1.0E+13 0.5 0.5 8.0E+12 0.6 8.0E+12 8.0E+12 0.4 0.4 6.0E+12 6.0E+12 6.0E+12 0.3 0.4 0.3 4.0E+12 0.2 4.0E+12 4.0E+12 0.2 0.2 2.0E+12 0.1 2.0E+12 2.0E+12 0.1 0 0.0E+00 0 0 0.0E+00 0.0E+00 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield decan-4-nitrate SOA yields: 1g DHF decan-5-nitrate SOA yields: 1g DHF 0.7 0.6 1.4E+13 1.4E+13 SOA yields after 1 generation of chemistry WITH DHF formation 0.6 1.2E+13 1.2E+13 0.5 0.5 1.0E+13 1.0E+13 0.4 0.4 8.0E+12 8.0E+12 0.3 0.3 6.0E+12 6.0E+12 0.2 0.2 4.0E+12 4.0E+12 0.1 0.1 2.0E+12 2.0E+12 0 0.0E+00 0 0.0E+00 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield

  6. decan-1-nitrate SOA yields (3G) Decan-2-nitrate SOA yields (3G) decan-3-nitrate SOA yields (3G) 1.2 1 1 2.0E+13 1.4E+13 1.2E+13 1.2E+13 1 1.0E+13 0.8 0.8 1.5E+13 1.0E+13 0.8 8.0E+12 0.6 0.6 8.0E+12 0.6 1.0E+13 6.0E+12 6.0E+12 0.4 0.4 0.4 4.0E+12 4.0E+12 5.0E+12 0.2 0.2 0.2 2.0E+12 2.0E+12 0 0 0 0.0E+00 0.0E+00 0.0E+00 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield decan-4-nitrate SOA yields (3G) decan-5-nitrate SOA yields (3G) 0.8 0.7 1.2E+13 1.2E+13 SOA yields after 3 generations of chemistry 0.7 0.6 1.0E+13 1.0E+13 0.6 0.5 8.0E+12 8.0E+12 0.5 0.4 0.4 6.0E+12 6.0E+12 0.3 0.3 4.0E+12 4.0E+12 0.2 0.2 2.0E+12 2.0E+12 0.1 0.1 0 0 0.0E+00 0.0E+00 0 600 1200 1800 2400 3000 3600 0 600 1200 1800 2400 3000 3600 [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield [SOA] molec cm-3 mass_SOA/d_mass_gas SOA_mass_yield - d[gas] molec cm-3 [SOA]/d[gas] SOA_molar_yield

  7. Pathway analysis for decan-1-nitrate: dec1nitr_1g_gaw_210405_ch2_wall_210405 decan-1-nitrate : concs at 60s decan-1-nitrate : concs at 60m 5.00E+12 1.40E+13 4.50E+12 1.20E+13 4.00E+12 DECOMP 1.00E+13 DECOMP 3.50E+12 CARBONYL 8.00E+12 CARBONYL 3.00E+12 NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.50E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 2.00E+12 1.50E+12 DINITR 4.00E+12 DINITR 1.00E+12 ISOM ISOM 2.00E+12 5.00E+11 0.00E+00 0.00E+00 gas aer wall total gas aer wall total Summary: CARBONYL product = decanal ( -attack) HC product = decan-1-al-4-ol RO fates summary: RO => always ISOM. Does NOT decompose.

  8. Pathway analysis for decan-2-nitrate: Dec2nitr_1g_gaw_210405_ch2_wall_210405 decan-2-nitrate : concs at 60s decan-2-nitrate : concs at 60m 4.50E+12 1.20E+13 4.00E+12 1.00E+13 3.50E+12 DECOMP DECOMP 3.00E+12 8.00E+12 CARBONYL CARBONYL 2.50E+12 NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.00E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL 1.50E+12 DINITR DINITR 1.00E+12 ISOM ISOM 2.00E+12 5.00E+11 0.00E+00 0.00E+00 gas aer wall total gas aer wall total Summary: CARBONYL product = decan-2-one ( -attack) HC product = decan-5-ol-2-one (attack on #5) RO fates summary: RO => ISOM. ALSO DECOMP if beta to (ONO2)

  9. Pathway analysis for decan-3-nitrate: dec3nitr_1g_gaw_210405_ch2_wall_210405 decan-3-nitrate : concs at 60s decan-3-nitrate : concs at 60m 4.00E+12 1.00E+13 9.00E+12 3.50E+12 8.00E+12 3.00E+12 DECOMP 7.00E+12 DECOMP 2.50E+12 CARBONYL 6.00E+12 CARBONYL NITRATE-CARBONYL 5.00E+12 NITRATE-CARBONYL 2.00E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL 1.50E+12 DINITR 3.00E+12 DINITR 1.00E+12 ISOM 2.00E+12 ISOM 5.00E+11 1.00E+12 0.00E+00 0.00E+00 gas aer wall total gas aer wall total Summary: CARBONYL product = decan-3-one ( -attack) HC products = Decan-6-ol-3-one (minor contrib from 3-ol-aldehyde) RO fates summary: RO => ISOM. ALSO DECOMP if beta to (ONO2)

  10. Pathway analysis for decan-4-nitrate: dec4nitr_1g_gaw_210405_ch2_wall_210405 decan-4-nitrate : concs at 60m decan-4-nitrate : concs at 60s 4.00E+12 1.20E+13 3.50E+12 1.00E+13 3.00E+12 DECOMP 8.00E+12 DECOMP 2.50E+12 CARBONYL CARBONYL NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.00E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL 1.50E+12 DINITR DINITR 1.00E+12 ISOM ISOM 2.00E+12 5.00E+11 0.00E+00 0.00E+00 gas aer wall total gas aer wall total Summary: CARBONYL product = decan-4-one ( -attack) HC products = decan-4-ol-7-one (minor from 1-ol-4-one) RO fates summary: RO => ISOM. ALSO DECOMP if beta to (ONO2)

  11. Pathway analysis for decan-5-nitrate: dec5nitr_1g_gaw_210405_ch2_wall_210405 decan-5-nitrate : concs at 60m decan-5-nitrate : concs at 60s 4.00E+12 1.00E+13 9.00E+12 3.50E+12 8.00E+12 3.00E+12 DECOMP 7.00E+12 DECOMP 2.50E+12 CARBONYL 6.00E+12 CARBONYL NITRATE-CARBONYL 5.00E+12 NITRATE-CARBONYL 2.00E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL 1.50E+12 DINITR 3.00E+12 DINITR 1.00E+12 2.00E+12 ISOM ISOM 5.00E+11 1.00E+12 0.00E+00 0.00E+00 gas aer wall total gas aer wall total Summary: CARBONYL product = decan-5-one ( -attack) HC products = mainly 5-one-8-ol & 5-one-2-ol (similar quantities) RO fates summary: RO => ISOM. ALSO DECOMP if beta to (ONO2)

  12. Pathway analysis for decan-1-ol: WITH cyclization decan1ol_1g_gaw_DHF_210720_ch2_W_O_210730 decan1ol_2g_gaw_DHF_210805_ch2_W_O_210805 Pathway analysis for decan-1-nitrate: dec1nitr_1g_gaw_210405_ch2_wall_210405 dec1nitr_3g_gaw_210521_ch2_wall_210521 decan-1-nitrate : concs at 60m decan-1-nitrate 1g DHF : @60s decan-1-nitrate : concs at 60s decan-1-nitrate 1g DHF : @60m DECOMP 5.00E+12 6.00E+12 5.00E+12 1.40E+13 4.50E+12 4.50E+12 CARBONYL 1.20E+13 5.00E+12 4.00E+12 4.00E+12 DECOMP DECOMP DECOMP 1.00E+13 NITRATE- CARBONYL HYDROXY- CARBONYL 3.50E+12 3.50E+12 CARBONYL 4.00E+12 CARBONYL CARBONYL 8.00E+12 3.00E+12 3.00E+12 NITRATE-CARBONYL 3.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 6.00E+12 2.50E+12 2.50E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL HYDROXY-CARBONYL DINITR 2.00E+12 2.00E+12 CYCLIC HEMIACETALS 2.00E+12 CYCLIC HEMIACETALS 1.50E+12 1.50E+12 DINITR 4.00E+12 DINITR 1.00E+12 DINITR ISOM 1.00E+12 1.00E+12 ISOM 2.00E+12 ISOM ISOM 5.00E+11 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total decan-1-nitrate 2g DHF : @60m decan-1-nitrate : concs at 60m decan-1-nitrate 2g DHF : @60s decan-1-nitrate : concs at 60s 2.00E+13 5.00E+12 1.40E+13 5.00E+12 DECOMP 1.80E+13 4.50E+12 4.50E+12 1.20E+13 1.60E+13 CARBONYL DECOMP 4.00E+12 4.00E+12 DECOMP 1.40E+13 DECOMP 1.00E+13 3.50E+12 CARBONYL 3.50E+12 CARBONYL 1.20E+13 NITRATE- CARBONYL HYDROXY- CARBONYL DINITR CARBONYL 8.00E+12 3.00E+12 3.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 1.00E+13 NITRATE-CARBONYL 6.00E+12 2.50E+12 2.50E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 8.00E+12 HYDROXY-CARBONYL 2.00E+12 2.00E+12 CYCLIC HEMIACETALS CYCLIC HEMIACETALS 6.00E+12 1.50E+12 DINITR 4.00E+12 1.50E+12 DINITR DINITR 4.00E+12 ISOM 1.00E+12 1.00E+12 ISOM 2.00E+12 ISOM ISOM 2.00E+12 5.00E+11 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total

  13. Pathway analysis for decan-2-ol: WITH cyclization decan2ol_1g_gaw_DHF_210720_ch2_W_O_210730 decan2ol_2g_gaw_DHF_210805_ch2_W_O_210805 Pathway analysis for decan-2-ol: no cyclization, 1&3 g decan2ol_1g_gaw_210405_ch2_wall_210405 decan2ol_3g_gaw_210521_ch2_wall_210521 decan-2-nitrate 1g DHF : @60s decan-2-nitrate 1g DHF : @60m decan-2-nitrate : concs at 60s decan-2-nitrate : concs at 60m 4.50E+12 4.50E+12 1.20E+13 6.00E+12 DECOMP 4.00E+12 4.00E+12 1.00E+13 5.00E+12 CARBONYL 3.50E+12 DECOMP DECOMP 3.50E+12 DECOMP NITRATE-CARBONYL 3.00E+12 CARBONYL 4.00E+12 CARBONYL 3.00E+12 8.00E+12 CARBONYL HYDROXY-CARBONYL 2.50E+12 NITRATE-CARBONYL 3.00E+12 NITRATE-CARBONYL 2.50E+12 NITRATE-CARBONYL 6.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL DINITR 2.00E+12 2.00E+12 HYDROXY-CARBONYL 4.00E+12 CYCLIC HEMIACETALS 2.00E+12 CYCLIC HEMIACETALS ISOM 1.50E+12 1.50E+12 DINITR DINITR DINITR 1.00E+12 1.00E+12 ISOM 2.00E+12 1.00E+12 ISOM ISOM 5.00E+11 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total decan-2-nitrate 2g DHF : @60s decan-2-nitrate 3g: concs at 60s decan-2-nitrate 2g DHF : @60m decan-2-nitrate 3g : concs at 60m 4.50E+12 1.40E+13 4.50E+12 1.60E+13 4.00E+12 4.00E+12 1.40E+13 1.20E+13 DECOMP 1.20E+13 3.50E+12 3.50E+12 DECOMP DECOMP DECOMP 3.00E+12 1.00E+13 CARBONYL 1.00E+13 3.00E+12 CARBONYL CARBONYL 8.00E+12 CARBONYL 2.50E+12 NITRATE-CARBONYL 8.00E+12 NITRATE-CARBONYL 2.50E+12 NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 2.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 1.50E+12 CYCLIC HEMIACETALS 6.00E+12 CYCLIC HEMIACETALS 1.50E+12 DINITR DINITR 1.00E+12 4.00E+12 DINITR 4.00E+12 DINITR 1.00E+12 ISOM ISOM 5.00E+11 2.00E+12 ISOM ISOM 2.00E+12 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total

  14. Pathway analysis for decan-3-ol: WITH cyclization decan3ol_1g_gaw_DHF_210720_ch2_W_O_210730 decan3ol_2g_gaw_DHF_210805_ch2_W_O_210805 Pathway analysis for decan-3-ol: decan3ol_1g_gaw_210405_ch2_wall_210405 decan3ol_3g_gaw_210521_ch2_wall_210521 decan-3-nitrate : concs at 60m decan-3-nitrate : concs at 60s decan-3-nitrate 1g DHF : @60s decan-3-nitrate 1g DHF : @60m 4.00E+12 1.20E+13 3.50E+12 6.00E+12 3.50E+12 3.00E+12 1.00E+13 5.00E+12 DECOMP DECOMP 3.00E+12 DECOMP 8.00E+12 DECOMP 2.50E+12 CARBONYL 4.00E+12 CARBONYL 2.50E+12 CARBONYL CARBONYL 2.00E+12 NITRATE-CARBONYL 3.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 1.50E+12 2.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL HYDROXY-CARBONYL HYDROXY-CARBONYL 1.50E+12 CYCLIC HEMIACETALS 2.00E+12 CYCLIC HEMIACETALS 4.00E+12 DINITR DINITR 1.00E+12 1.00E+12 DINITR 1.00E+12 DINITR ISOM ISOM 5.00E+11 2.00E+12 5.00E+11 ISOM ISOM 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total decan-3-nitrate : concs at 60s decan-3-nitrate : concs at 60m decan-3-nitrate 2g DHF : @60s decan-3-nitrate 2g DHF : @60m 4.00E+12 1.40E+13 4.00E+12 1.40E+13 3.50E+12 1.20E+13 3.50E+12 1.20E+13 DECOMP 1.00E+13 3.00E+12 DECOMP DECOMP 1.00E+13 DECOMP 3.00E+12 CARBONYL CARBONYL 2.50E+12 CARBONYL 8.00E+12 CARBONYL 2.50E+12 NITRATE-CARBONYL 8.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.00E+12 2.00E+12 HYDROXY-CARBONYL 6.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL HYDROXY-CARBONYL 1.50E+12 1.50E+12 CYCLIC HEMIACETALS 4.00E+12 CYCLIC HEMIACETALS DINITR 4.00E+12 DINITR 1.00E+12 1.00E+12 DINITR DINITR ISOM 2.00E+12 ISOM 5.00E+11 ISOM 2.00E+12 5.00E+11 ISOM 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total

  15. Pathway analysis for decan-4-ol: WITH cyclization decan4ol_1g_gaw_DHF_210720_ch2_W_O_210730 decan4ol_3g_gaw_DHF_210720_ch2_W_O_210805 Pathway analysis for decan-4-ol: decan4ol_1g_gaw_210405_ch2_wall_210405 decan4ol_1g_gaw_2105218_ch2_wall_210521 decan-4-nitrate 1g DHF : @60s decan-4-nitrate 1g DHF : @60m decan-4-nitrate : concs at 60m decan-4-nitrate : concs at 60s 4.00E+12 1.20E+13 4.00E+12 7.00E+12 3.50E+12 3.50E+12 6.00E+12 1.00E+13 DECOMP 3.00E+12 DECOMP 5.00E+12 DECOMP 3.00E+12 DECOMP 8.00E+12 CARBONYL CARBONYL CARBONYL 2.50E+12 NITRATE-CARBONYL 2.50E+12 CARBONYL NITRATE-CARBONYL 4.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 6.00E+12 2.00E+12 HYDROXY-CARBONYL 2.00E+12 HYDROXY-CARBONYL 3.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 4.00E+12 DINITR 1.50E+12 1.50E+12 CYCLIC HEMIACETALS 2.00E+12 CYCLIC HEMIACETALS DINITR ISOM 1.00E+12 1.00E+12 DINITR DINITR ISOM 2.00E+12 ISOM 1.00E+12 ISOM 5.00E+11 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total decan-4-nitrate 3g DHF : @60m decan-4-nitrate 3g DHF : @60s decan-4-nitrate : concs at 60s decan-4-nitrate : concs at 60m 1.60E+13 4.00E+12 4.00E+12 1.20E+13 1.40E+13 3.50E+12 3.50E+12 1.00E+13 DECOMP DECOMP 1.20E+13 DECOMP 3.00E+12 3.00E+12 DECOMP 8.00E+12 CARBONYL CARBONYL 1.00E+13 CARBONYL 2.50E+12 2.50E+12 CARBONYL NITRATE-CARBONYL NITRATE-CARBONYL 8.00E+12 NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.00E+12 2.00E+12 HYDROXY-CARBONYL HYDROXY-CARBONYL 6.00E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL 1.50E+12 1.50E+12 CYCLIC HEMIACETALS CYCLIC HEMIACETALS DINITR DINITR 1.00E+12 DINITR 4.00E+12 DINITR 1.00E+12 ISOM 2.00E+12 ISOM 5.00E+11 ISOM ISOM 2.00E+12 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total

  16. Pathway analysis for decan-5-ol: WITH cyclization decan5ol_1g_gaw_DHF_210720_ch2_W_O_210730 decan5ol_3g_gaw_DHF_210720_ch2_W_O_210805 Pathway analysis for decan-5-ol: no cyclization decan5ol_1g_gaw_210405_ch2_wall_210405 decan5ol_3g_gaw_210521_ch2_wall_210521 decan-5-nitrate : concs at 60m decan-5-nitrate 1g DHF : @60s decan-5-nitrate : concs at 60s decan-5-nitrate 1g DHF : @60m 3.50E+12 1.00E+13 3.50E+12 8.00E+12 9.00E+12 7.00E+12 3.00E+12 3.00E+12 8.00E+12 DECOMP 6.00E+12 DECOMP DECOMP 7.00E+12 DECOMP 2.50E+12 2.50E+12 CARBONYL 5.00E+12 CARBONYL CARBONYL 6.00E+12 CARBONYL 2.00E+12 2.00E+12 NITRATE-CARBONYL 4.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 5.00E+12 NITRATE-CARBONYL 1.50E+12 HYDROXY-CARBONYL 3.00E+12 HYDROXY-CARBONYL 1.50E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL CYCLIC HEMIACETALS CYCLIC HEMIACETALS DINITR 3.00E+12 DINITR 1.00E+12 1.00E+12 DINITR 2.00E+12 DINITR 2.00E+12 ISOM ISOM 5.00E+11 5.00E+11 ISOM ISOM 1.00E+12 1.00E+12 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total decan-5-nitrate : concs at 60m decan-5-nitrate 3g DHF : @60s decan-5-nitrate 3g DHF : @60m decan-5-nitrate : concs at 60s 3.50E+12 1.20E+13 4.00E+12 1.40E+13 3.50E+12 3.00E+12 1.20E+13 1.00E+13 DECOMP 1.00E+13 DECOMP DECOMP 3.00E+12 DECOMP 8.00E+12 2.50E+12 CARBONYL CARBONYL CARBONYL 2.50E+12 CARBONYL 2.00E+12 NITRATE-CARBONYL 8.00E+12 NITRATE-CARBONYL NITRATE-CARBONYL 6.00E+12 NITRATE-CARBONYL 2.00E+12 HYDROXY-CARBONYL 6.00E+12 HYDROXY-CARBONYL 1.50E+12 HYDROXY-CARBONYL 4.00E+12 HYDROXY-CARBONYL 1.50E+12 CYCLIC HEMIACETALS 4.00E+12 CYCLIC HEMIACETALS DINITR DINITR 1.00E+12 1.00E+12 DINITR DINITR ISOM 2.00E+12 ISOM 5.00E+11 2.00E+12 ISOM ISOM 5.00E+11 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gas aer wall total gas aer wall total gas aer wall total gas aer wall total

Related


Life Insurance Business

Life Insurance Business

peridot
SUD Life Century Gold - Individual Saving Life Insurance Plan

SUD Life Century Gold - Individual Saving Life Insurance Plan

mariah
Biometrical Techniques in Animal Breeding: Analysis of Variance in Completely Randomized Design

Biometrical Techniques in Animal Breeding: Analysis of Variance in Completely Randomized Design

thisbe
Enhancing Innovation Through Horizon Results Platform

Enhancing Innovation Through Horizon Results Platform

irwin
Mathematical Expectation and Moments

Mathematical Expectation and Moments

carson
Interior Angles in Polygons

Interior Angles in Polygons

hero
ANOVA in Experimental Design

ANOVA in Experimental Design

coral
Step-by-Step Guide to Mutual Fund Investments: Lump Sum and SIP

Step-by-Step Guide to Mutual Fund Investments: Lump Sum and SIP

alias
Solving Maximum Contiguous Subarray Sum Problem with Dynamic Programming

Solving Maximum Contiguous Subarray Sum Problem with Dynamic Programming

kensing
Triangle Properties in Geometry

Triangle Properties in Geometry

gagliardo_a
Nuclear Symmetry Energy with QCD Sum Rule

Nuclear Symmetry Energy with QCD Sum Rule

archiesc
Modification of Nucleon Spectral Function in Nuclear Medium from QCD Sum Rules

Modification of Nucleon Spectral Function in Nuclear Medium from QCD Sum Rules

balo
Infinite Geometric Sequences and Convergent Series

Infinite Geometric Sequences and Convergent Series

vicenzoma
Streamlining Zero Sum Transfers in Department of Transportation

Streamlining Zero Sum Transfers in Department of Transportation

sarra
Faster Space-Efficient Algorithms for Subset Sum

Faster Space-Efficient Algorithms for Subset Sum

smarc
Polygons in Geometry

Polygons in Geometry

baby563
Interior Angles in Polygons

Interior Angles in Polygons

corpening_r
Mesons in Medium and QCD Sum Rule with Dim-6 Operators

Mesons in Medium and QCD Sum Rule with Dim-6 Operators

hardnett_a
Exotic Glueballs and Hadrons in QCD Sum Rule

Exotic Glueballs and Hadrons in QCD Sum Rule

zkarr
Divide and Conquer Algorithm for Maximum Subarray Sum

Divide and Conquer Algorithm for Maximum Subarray Sum

ezmerald
Combinatorics in Discrete Mathematics

Combinatorics in Discrete Mathematics

naoh300
Picture Proof: Quadrilaterals Tessellate through Angle Sum Property

Picture Proof: Quadrilaterals Tessellate through Angle Sum Property

mushtaaqw

More Related Content