Single-Event Rate Parameters for Paraffin Hydrocracking on a Pt/US-Y Zeolite

Single Event Kinetic Modelling without Explicit Generation of Large Networks: Application to Hydrocracking of Long Paraffins

“…As earlier work (Svoboda et al, 1995;Martens and Froment, 1999; showed that the total concentration of carbenium ions could be neglected compared to the total concentration of acid sites, the forward reaction rate for the gas-phase reaction is therefore reduced to:…”

“…An other explanation of the overprediction of the reactivity of squalane may be linked to the chemisorption of the carbenium ions, as the proposed kinetic model does not contain an inhibition term due to chemisorption on acid sites. Indeed, previous literature studies (Svoboda et al, 1995;Martens and Froment, 1999;) have shown that the total concentration of carbenium ions could be neglected compared to the total concentration of acid sites. However, these observations were based on hydrocracking experiments on n-C 8 to n-C 12 paraffins and on mixtures of n-C 8 with 10 mole% of branched C 8 paraffins.…”

“…The single event methodology has already been extensively described in the literature. This acid-catalyzed modelling approach has been applied to isomerization (Guillaume et al, 2003a;Surla et al, 2004Surla et al, , 2011, alkylation (Martinis and Froment, 2006), olefin oligomerization (Guillaume, 2006;Shahrouzi et al, 2008), methanol-to-olefins Froment, 2001a, b, 2004;Al Wahabi and Froment, 2004;Froment, 2005), catalytic reforming (Sotelo-Boyás and Froment, 2009;Cochegrue et al, 2011), catalytic cracking (Feng et al, 1993;Dewachtere et al, 1999;Beirnaert et al, 2001;Moustafa and Froment, 2003;Froment, 2005;Quintana-Solórzano et al, 2005, b, 2010 and hydrocracking (Baltanas and Froment, 1985;Baltanas et al, 1989;Vynckier and Froment, 1991;Svoboda et al, 1995;Schweitzer et al, 1999;Martens and Froment, 1999;Martens et al, 2000Thybaut et al, 2001Thybaut et al, , 2009Thybaut and Marin, 2003;Laxmi Narasimhan et al, 2003a, b, 2004, 2006Chavarría-Hernández et al, 2004Kumar and Froment, 2007a, b;Chavarría-Hernández and Ramírez, 2009;Mitsios et al, 2009;Choudhury et al, 2010).…”

“…Concerning the modelling of the hydrocracking process, good results have been obtained for the modelling of hydrocracking at lab scale (Baltanas et al, 1989;Vynckier and Froment, 1991;Svoboda et al, 1995;Martens and Froment, 1999;Thybaut and Marin, 2003;Kumar and Froment, 2007a, b;Chavarría-Hernández et al, 2008;Chavarría-Hernández and Ramírez, 2009;Thybaut et al, 2009) and at pilot plant scale (Schweitzer et al, 1999;Mitsios et al, 2009). The direct approach of the methodology, as described by Baltanas and Froment (1985) and Vynckier and Froment (1991), becomes unpractical when it is applied to heavy feeds with high carbon numbers, as the size of the generated network, both in terms of species and reactions, increases extremely rapidly with carbon number, resulting in colossal computing times and intractable networks.…”

Kinetic Modeling using the Single-Event Methodology: Application to the Isomerization of Light Paraffins

“…The single-event approach has been applied to many acid-catalyzed processes, amongst which are isomerization, alkylation, olefin oligomerisation, methanol-to-olefins, catalytic reforming, catalytic cracking and hydrocracking. The largest body of work on single event kinetics concerns catalytic cracking (Feng et al, 1993;Dewachtere et al, 1999;Beirnaert et al, 2001;Moustafa and Froment, 2003;Froment, 2005;Quintana-Solórzano et al, 2005, b, 2010 and hydrocracking (Baltanas and Froment, 1985;Baltanas et al, 1989;Vynckier and Froment, 1991;Svoboda et al, 1995;Schweitzer et al, 1999;Martens and Froment, 1999;Martens et al, 2000Thybaut et al, 2001Thybaut et al, , 2004Thybaut et al, , 2009Thybaut and Marin, 2003;Laxmi Narasimhan et al, 2003a, b, 2004, 2007Chavarría-Hernández et al, 2004Kumar and Froment, 2007a, b;Chavarría-Hernández and Ramírez, 2009;Mitsios et al, 2009;Choudhury et al, 2010). This paper describes the basic concepts of the single-event kinetic modeling methodology and its application to C5-C6 light paraffin isomerization reactions, hereby extending previous work (Guillaume et al, 2003;Surla et al, 2004).…”