Modelling and Parameter Estimation in Reactive Continuous Mixtures: The Catalytic Cracking of Alkanes. Part I

Abstract

Fragmentation kinetics is employed to model a continuous reactive mixture. An explicit solution is found and experimental data on the catalytic cracking of a mixture of alkanes are used for deactivation and kinetic parameter estimation

Continuous modelling and kinetic parameter estimation for cellulose nitration

“…If x is a vector of n continuous indexes, the CDF of the system is denoted by f (x) and the molar concentration of species with indexes in the region (x 1 , x 1 + dx 1 ) × (x 2 , x 2 + dx 2 ) × · · · × (x n , x n + dx n ) is given by the analogous expression f (x)d n x. Resulting material balances lead to n-dimensional integro-differential equations which solutions have been traditionally accessed by numerical methods like: discretization (Peixoto andde Medeiros, 2001, 1999a;Ramkrishna, 1997, 1996a,b;Ng, 1996, 1995), expansions and/or colocations (Peixoto and de Medeiros, 1999a;Peixoto, 1999;Cicarelli et al, 1992;Hwang et al, 1982), moment analysis techniques (Gupte and Madras, 2004;Peixoto and de Medeiros, 1999b;McCoy and Madras, 1997;Madras et al, 1997a;Wang et al, 1995), Laplace transforms Cicarelli et al, 1992),among others (Madras and McCoy, 2003;McCoy and Madras, 2002;Madras et al, 1997b;Liou et al, 1997, McCoy, 1996, 1995, 1993Wang et al, 1994;McCoy and Wang, 1993;Prasad et al, 1986, Ziff andMcGrady, 1986).…”

Estimation of kinetic and mass‐transfer parameters for cellulose nitration

“…Such a model cannot depend on the reactant, which is common in lumped models. 2 A good alternative is the usage of continuous models, built with structural descriptions of the cellulose molecule, which tend to exhibit parameters that are independent of the cellulose or sulfonitric mixture used. Once parameters are fitted and cellulose molecular weight distribution is measured by size-exclusion chromatography (SEC), [3][4][5][6] the ideal batch time can be defined.…”

“…1,2,8,9 Diffusion aspects required the calculation of the number of moles of nitronium ions available at each simulation time.…”