Carbon bond mechanism

The carbon bond mechanism (64—66), a variation of a lumped mechanism, spHts each organic molecule into functional groups using the assumption that the reactivity of the molecule is dominated by the chemistry of each functional group. 

J. P. KiUus and G. Z. Whitten, A. Neiv Carbon Bond Mechanism for Air Quality Modeling, Report No. EPA 60013-82-041, U.S. Environmental Protection Agency, Research Triangle Park, N.C., 1982. 

The second approach groups organics in terms of bonding. This carbon bond mechanism, referred to in the literature generally as CB(X), where X gives the... 

Kasibhatla, P., W. L. Chameides, B. Duncan, M. Houyoux, C. Jang, R. Mathur, T. Odman, and A. Xiu, Impact of Inert Organic Nitrate Formation on Ground-Level Ozone in a Regional Air Quality Model Using the Carbon Bond Mechanism 4, Geophys. Res. Lett., 24, 3205-3208 (1997). 

OZIPR contains two comprehensive chemical mechanisms that use two different approaches to lumping organics. The two mechanisms used in these models, the RADM (Regional Acid Deposition Model) and the Carbon Bond Mechanism (CBM), are discussed in Chapter 16.A.3b and in detail by Stockwell et al. [J. Geophys. Res., 95, 16343 (1990) and J. Geophys. Res., 102, 25847 (1997)] and by Gery et al. [J. Geophys. Res., 94, 12925 (1989)]. 

The input file for Example 8 is ex8.inp and has the associated mechanism meccm.cb4, actinic fluxes as zen.cb4 and reac.cb4. CB4 (or CBIV) stands for carbon bond mechanism, version 4. A species list is found in Table 16.2. 

CBM-EX The Stanford University s extended carbon bond mechanism... 

The reaction occurs by nucleophilic addition of the organometallic reagent to the polarized C-N triple bond to form an anion (Step [1]), which is protonated with water to form an imine. Water then hydrolyzes the imine, replacing the C=N by C=0 as described in Section 21.12. The final product is a ketone with a new carbon-carbon bond (Mechanism 22.14). 

Simonaitis, R., J. Meagher, and E. M. Bailey Evaluation of the condensed Carbon Bond Mechanism against smog chamber data at low VOC and NOx Concentrations, Atm. Environ. 31 (1997) 27-43. 

Figure 4. Plots of the mechanism under prediction bias for model simulations UCR EPA ambient surrogate - NOx experiments against normalized ROG/NOx ratios for the SAPRC-99 and Carbon Bond mechanisms. The SAPRC-99 calculations show effects of varying the MONO offgasing chamber effect parameters and using a lower OH + NO2 rate constant.

G. Abowitz (Xerox Corporation) Does the carbon bonding mechanism you discussed for clean W and Fe surfaces depend on the fact that they are BCC metals and have a high affinity for carbon What about non BCC metal surfaces ... 

Whitten, G.Z., Hogo, H., Killus, J.P. The Carbon Bond Mechanism a condensed kinetic mechanism for photochemical smog analysis techniques to a photochemical ozone model. Environ. Sci. Technol. 14, 690-700 (1980)... 

Westerhausen M, Digeser MH, Noth H, Seifert T, Pfitzner A (1998) A unique barium—carbon bond mechanism of formation and crystallographic characterization. J Am Chem Soc... 

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