Kinetics of the Fischer-Tropsch reaction on a precipitated promoted iron catalyst. 2. Kinetic modeling

Lox, E.S.; Froment, Gilbert F.

doi:10.1021/ie00013a011

Cited by 194 publications

(189 citation statements)

References 22 publications

(29 reference statements)

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“…The water-gas shift reaction is important on iron-based catalysts under Fischer-Tropsch conditions. The hydrocarbon forming reactions take place on the carbide phase of the catalyst while the water-gas shift occurs on the oxide phase [27,28]. Six elementary reactions are involved in the reaction mechanism for the water-gas shift [29].…”

Section: Application Example On An Iron-based Catalystmentioning

confidence: 99%

Fischer-Tropsch Synthesis: Development of a Microkinetic Model for Metal Catalysis

Lozano-Blanco¹,

Thybaut²,

Surla³

et al. 2006

Oil & Gas Science and Technology - Rev. IFP

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Résumé -La synthèse Fischer-Tropsch : développement d'un modèle microcinétique pour la catalyse sur métaux -L'article présente la construction d'un modèle cinétique par événements constitutifs pour la catalyse sur métaux en utilisant la synthèse Fischer-Tropsch comme exemple. Les modèles cinétiques par événements constitutifs décrivent la distribution complète des produits de réaction avec un nombre réduit de paramètres cinétiques. Un algorithme est nécessaire pour générer toutes les espèces et les réactions élémentaires qui forment le réseau réactionnel. Les réactifs, les intermédiaires et les produits de réaction sont représentés comme matrices Booléennes et labels standardisés. Les paramètres ajustables du modèle sont les enthalpies de chimisorption atomique du carbone, oxygène et hydrogène sur la surface métallique et les coefficients cinétiques de l'événement constitutif des familles de réaction cinétiquement relevantes. Abstract

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Section: Application Example On An Iron-based Catalystmentioning

confidence: 99%

Fischer-Tropsch Synthesis: Development of a Microkinetic Model for Metal Catalysis

Lozano-Blanco¹,

Thybaut²,

Surla³

et al. 2006

Oil & Gas Science and Technology - Rev. IFP

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“…Three kinetic models from the literature have been adopted to analyze the experimental data from the STSR. Two kinetic models (Lox and Froment, 1993b;Yang et al, 2003) provide a complete product distribution (inorganic species and hydrocarbons) whereas the kinetic model of Van der Laan andBeenackers (1998, 1999) can be used to predict hydrocarbon product distribution only.…”

Section: Resultsmentioning

confidence: 99%

“…The estimated kinetic parameters from the experimental data in the STSR were calculated using the kinetic models of Lox and Froment (1993b), Yang et al (2003), and Van der Laan andBeenackers (1998, 1999). The results of the estimation of kinetic parameters are described in the Results and Discussion Section of this report.…”

Section: Task 4 Model Discrimination and Parameter Estimationmentioning

confidence: 99%

Kinetics of Slurry Phase Fischer-Tropsch Synthesis

Bukur¹,

Froment²,

Olewski³

2006

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This report covers the fourth year of a research project conducted under the University Coal Research Program. The overall objective of this project is to develop a comprehensive kinetic model for slurry-phase Fischer-Tropsch synthesis (FTS) employing iron-based catalysts. This model will be validated with experimental data obtained in a stirred-tank slurry reactor (STSR) over a wide range of process conditions. The model will be able to predict molar flow rates and concentrations of all reactants and major product species (water, carbon dioxide, linear 1-and 2-olefins, and linear paraffins) as a function of reaction conditions in the STSR.During the fourth year of the project, an analysis of experimental data collected during the second year of this project was performed. Kinetic parameters were estimated utilizing product distributions from 27 mass balances. During the reporting period two kinetic models were employed: a comprehensive kinetic model of Dr. Li and co-workers and a hydrocarbon selectivity model of Van der Laan andBeenackers (1998, 1999) The kinetic model of Yang et al. (2003) has 24 parameters (20 parameters for hydrocarbon formation, and 4 parameters for the water-gas-shift (WGS) reaction). Kinetic parameters for the WGS reaction and FTS synthesis were estimated first separately, and then simultaneously. The estimation of these kinetic parameters employed the Levenberg-Marquardt (LM) method and the trust-region reflective Newton large-scale (LS) method. A genetic algorithm (GA) was incorporated into estimation of parameters for FTS reaction to provide initial estimates of model parameters.All reaction rate constants and activation energies were found to be positive, but at the 95% confidence level the intervals were large. Agreement between predicted and experimental reaction rates has been fair to good. Light hydrocarbons are predicted fairly accurately, whereas the model underpredicts values of higher molecular weight hydrocarbons.Van der Laan and Beenackers hydrocarbon selectivity model provides a very good fit of the experimental data for hydrocarbons up to about C 20. However, the experimental data shows higher paraffin formation rates in C 12 -C 25 region which is likely due to hydrocracking or other secondary reactions. The model accurately captures the observed experimental trends of decreasing olefin to paraffin ratio and increasing α (chain growth length) with increase in chain length.

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“…However, the model of Lox and Froment [54] is well-accepted and is used here for the WGS reaction rate (r CO , commonly denoted as r WGS ) on Fe, and is expressed as the following when written in terms of species concentrations: …”

Section: The Water Gas Shift Reactionmentioning

confidence: 99%

A Fischer-Tropsch synthesis reactor model framework for liquid biofuels production.

Pratt¹

2012

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Fischer-Tropsch synthesis (FTS) is an attractive option in the process of converting biomass-derived syngas to liquid fuels in a small-scale mobile bio-refinery. Computer simulation can be an efficient method of designing a compact FTS reactor, but no known comprehensive model exists that is able to predict performance of the needed non-traditional designs.This work developed a generalized model framework that can be used to examine a variety of FTS reactor configurations. It is based on the four fundamental physics areas that underlie FTS reactors: momentum transport, mass transport, energy transport, and chemical kinetics, rather than empirical data of traditional reactors.The mathematics developed were applied to an example application and solved numerically using COMSOL. The results compare well to the literature and give insights into the operation of FTS that are then used to propose a new reactor concept that may be suitable for the mobile bio-refinery application. 4 AcknowledgementsI am deeply grateful to the Sandia LDRD office and the ECIS investment area for sponsoring this project.I would also like to thank the following people who participated in this project:• Chris Shaddix for his mentorship, both technically and personally, throughout the project.• Hank Westrich and Sheri Martinez at the LDRD Office for their assistance and encouragement.• Daniel Dedrick for his work in forming the concept of this LDRD topic.• Blake Simmons for providing project management so I could focus on the technical challenges.• Deanna Agosta for financial planning.• Tiffany Vargas and Karen McWilliams at the CA Technical Library for providing and/or helping me find the countless papers and texts used to develop my understanding of everything from the detailed theory to the history and applications of FTS. 5 SummaryLiquid fuels synthesized from renewable CO and H 2 could displace petroleum-based fuels to provide clean, renewable energy for the future. Small scale (<20 bbl/day) reactors for synthetic liquid fuels production are an emerging development area that may enable mobile biomass-to-liquids plants suited for on-demand liquid fuel production from diverse, underutilized, local resources. The design of such a "mobile bio-refinery" is a significant departure from the traditional large-scale industrial designs and requires predictive tools such as computer models to efficiently produce a successful facility. Because existing models inherently incorporate the empirical results of the traditional designs they are not suitable for this application. The need for a model that can examine the drastic design changes and innovations needed for the mobile bio-refinery is clear.The goal of this work was to create a gas-to-liquids synthesis model with the minimum amount of empiricism and assumptions allowed by the current state of the theory, through integrated physics component models across varying length scales, with the ultimate purpose being to enable design of efficient, durable, and flexible small scale and/or novel re...

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Kinetics of the Fischer-Tropsch reaction on a precipitated promoted iron catalyst. 2. Kinetic modeling

Cited by 194 publications

References 22 publications

Fischer-Tropsch Synthesis: Development of a Microkinetic Model for Metal Catalysis

Fischer-Tropsch Synthesis: Development of a Microkinetic Model for Metal Catalysis

Kinetics of Slurry Phase Fischer-Tropsch Synthesis

A Fischer-Tropsch synthesis reactor model framework for liquid biofuels production.

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