A review of kinetic modeling methodologies for complex processes

LP de Oliveira, D Hudebine… - Oil & Gas Science …, 2016 - ogst.ifpenergiesnouvelles.fr
In this paper, kinetic modeling techniques for complex chemical processes are reviewed.
After a brief historical overview of chemical kinetics, an overview is given of the theoretical …

[PDF][PDF] Discerning complex reaction networks using automated generators

S Vernuccio, LJ Broadbelt - AIChE J, 2019 - academia.edu
Kinetic models are powerful tools, widely applied in many different fields of chemical
engineering and industrial chemistry. These models are typically expressed as large …

Single-Event MicroKinetics: Catalyst design for complex reaction networks

JW Thybaut, GB Marin - Journal of catalysis, 2013 - Elsevier
Microkinetic modeling provides unprecedented insight in chemical kinetics and reaction
mechanisms. In particular for reactions in complex mixtures that pertain to a limited number …

Fundamental kinetics model of acidity-activity relation for ethylene oligomerization and aromatization over ZSM-5 zeolites

F Jin, P Zhang, G Wu - Chemical Engineering Science, 2021 - Elsevier
The kinetics of ethylene oligomerization and aromatization (OA) over ZSM-5 with different
Si/Al ratios was modeled by applying single-event concept combined with Brönsted kinetic …

Simulating vacuum residue hydroconversion by means of Monte-Carlo techniques

LP de Oliveira, JJ Verstraete, M Kolb - Catalysis Today, 2014 - Elsevier
The present work focuses on the development of a novel methodology for the kinetic
modeling of heavy oil conversion processes. The methodology models both the feedstock …

Oligomerization of C5 Olefins in Light Catalytic Naphtha

R Schmidt, MB Welch, BB Randolph - Energy & fuels, 2008 - ACS Publications
Refinery gasoline contains C5 alkanes and alkenes that are being displaced due to
regulations on maximum seasonal Reid vapor pressure (RVP) limits and increased blending …

Single-event kinetic modeling of ethene oligomerization on ZSM-5

F Jin, Y Fan, M Yuan, F Min, G Wu, Y Ding, GF Froment - Catalysis Today, 2018 - Elsevier
The single-event kinetic modeling approach is extended to the ethene oligomerization
process with products including paraffins and olefins, cyclic molecules and aromatics. The …

Catalytic conversion of alkenes on acidic zeolites: automated generation of reaction mechanisms and lumping technique

E Koninckx, JG Colin, LJ Broadbelt… - ACS Engineering …, 2022 - ACS Publications
Acid-catalyzed hydrocarbon transformations are essential for industrial processes, including
oligomerization, cracking, alkylation, and aromatization. However, these chemistries are …

Stochastic simulation and single events kinetic modeling: application to olefin oligomerization

JR Shahrouzi, D Guillaume, P Rouchon… - Industrial & …, 2008 - ACS Publications
In order to handle a tractable network for complex reaction systems such as oligomerization,
stochastic tools are applied to reduce the reaction mechanism. The particularity of this work …

Single event kinetic modelling without explicit generation of large networks: application to hydrocracking of long paraffins

D Guillaume, E Valéry… - Oil & Gas Science …, 2011 - ogst.ifpenergiesnouvelles.fr
The single event modelling concept allows developing kinetic models for the simulation of
refinery processes. For reaction networks with several hundreds of thousands of species, as …