Models, for hydrocarbons

Abstract A three-function catalyst model for hydrocarbon SCR of NOx is described, based on experimental evidence for each function, during temperature-programmed surface reactions (TPSR). 

Kravtsov, A.V., Moizes, O.E., Usheva, N.V., and Yablonskii, G.S. 1988. Kinetic model for hydrocarbon synthesis from CO and H2 accounting for its intragroup distribution. React. Kinet. Catal. Lett. 36 201-6. 

Dunn, I. J. (1968). An interfacial kinetics model for hydrocarbons oxidation, Biotechnol. Bioeng., 11, 467—487. 

Saunders, D. F., Burson, K.R.,. Thompson, C.K. 1999. Model for hydrocarbon microseepage and related near-surface alterations AAPG Bulletin, 83, 170-185. 

Krishna and Paschek [91] employed the Maxwell-Stefan description for mass transport of alkanes through silicalite membranes, but did not consider more complex (e.g., unsaturated or branched) hydrocarbons. Kapteijn et al. [92] and Bakker et al. [93] applied the Maxwell-Stefan model for hydrocarbon permeation through silicalite membranes. Flanders et al. [94] studied separation of C6 isomers by pervaporation through ZSM-5 membranes and found that separation was due to shape selectivity. 

There are a number of possible approaches to the calculation of influences of finite-rate chemistry on diffusion flames. Known rates of elementary reaction steps may be employed in the full set of conservation equations, with solutions sought by numerical integration (for example, [171]). Complexities of diffusion-flame problems cause this approach to be difficult to pursue and motivate searches for simplifications of the chemical kinetics [172]. Numerical integrations that have been performed mainly employ one-step (first in [107]) or two-step [173] approximations to the kinetics. Appropriate one-step approximations are realistic for limited purposes over restricted ranges of conditions. However, there are important aspects of flame structure (for example, soot-concentration profiles) that cannot be described by one-step, overall, kinetic schemes, and one of the major currently outstanding diffusion-flame problems is to develop better simplified kinetic models for hydrocarbon diffusion flames that are capable of predicting results such as observed correlations [172] for concentration profiles of nonequilibrium species. 

The first empirical model for hydrocarbon ignition was created by Gray and Yang [195] in 1965. This simple model, given below, has two variables a single concentration variable x and temperature T. 

As a third step, the global model for hydrocarbon combustion was extended with a detailed model of 21 elementary steps for moist CO combustion, resulting in a quasi-global model similar to that of Edelman and Fortune. This model [202] predicted the species profiles as well. A similar model was almost simultaneously proposed by Duterque et al. [206] for five fuels. 

M.P. Halstead, L.J. Kirsch, A. Prothero and C.P. Quinn, A Mathematical Model for Hydrocarbon Autoignition at High Pressures, Proc. Roy. Soc. Lond. A346 (1975) 515. 

Allan, U.S., 1989. Model for hydrocarbon migration and entrapment within faulted structures. The American Association of Petroleum Geologists Bulletin, Vol. 73, no. 7, pp. 803-811... 

Parallel to this, it is also important to define the description level required by the model for it to be reliable and effective. Liguras and Allen (1989, 1992) quite correctly observe that one of the key issues in developing ideal characterization and kinetic models for hydrocarbon fractions is determining the point at which increasing the number of model compounds no longer enhances the model predictions. According to Krambeck (1992), the most important application of... 

Scott, R. L., and P. B. van Konynenburg. 1970. Static properties of solutions van der Waals and related models for hydrocarbon mixtures. Discuss. Faraday Soc. 49 87. Seckner, A. J., A. K. McClellan, and M. A. McHugh. 1988. High-pressure solution behavior of the polystyrene-toluene-ethane system. AIChE J. 34 9-16. 

BIOSCREEN A natural attenuation model for hydrocarbon plumes ... 

Development of a compositional kinetic model for hydrocarbon generation and phase equilibria modelling a case study from Snorre Field, Norwegian North Sea... 

These data are used to provide a model for hydrocarbon sourcing and migration in the Smorbukk and Halten Vest region. 

A first issue is the thermodynamic modelling. For the high-pressure part including the stabiliser, an equation-of-state model is appropriate, as for example Peng-Robinson or Soave-Redlich-Kwong. A specific model for hydrocarbons, as Chao-Seader or Grayson-Streed, may be used equally for the low-pressure part. 

Burial History and Kinetic Modeling for Hydrocarbon Generation... 

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