Thermodynamics and kinetics of the synthesis of higher aliphatic alcohols

Grzesik, M.; Kulawska, M.; Skrzypek, J.; Witczak, Mariusz

doi:10.1016/s0167-2991(99)80174-8

Cited by 4 publications

(8 citation statements)

References 6 publications

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“…Furthermore, CO 2 formation was exponentially enhanced above 500 K. Tert-butanol is the main product among C4 alcohols at 300 K, while 2-butanol becomes a more prominent product at 470 K (Figure 12c). When comparing the results of [69] with the H 2 /CO ratio of 2 to those of [70] with the H 2 /CO ratio of 2.3 at 550 K under 7.0 MPa, it can be seen that the C4 alcohol fractions were 0.95 and 0.79, respectively, which is probably related to different models applied in these studies. Despite these differences, a common conclusion from both studies is that with a higher H 2 /CO ratio less alcohols should be formed.…”

Section: Thermodynamics For Higher Alcohol Formation From Syngasmentioning

confidence: 90%

“…An apparent discrepancy with the experimental data reporting high yields of ethanol, indicates kinetic rather than the thermodynamic control. With increasing temperature up to 477 °C the corresponding predicted molar fractions are: 0.46 for butanol, 0.2 for CO 2 , 0.16 for propanol and 0.03 for ethanol [70] . The highest equilibrium amounts of butanol can be obtained at high pressures, e. g. 5.0–7.0 MPa corresponding to 0.78, while at a lower pressure of 3.0 MPa the butanol fraction is 0.7.…”

Section: Catalyst Activation Thermodynamics and Effect Of The Reactio...mentioning

confidence: 94%

“…Thermodynamic analysis, being important for design of industrial processes, has been scarcely performed for transforming syngas to alcohols, C1−C4 [68–70] . In [70] equilibrium concentrations were calculated for alcohols formation and the water gas shift reaction.…”

Section: Catalyst Activation Thermodynamics and Effect Of The Reactio...mentioning

confidence: 99%

“…Thermodynamic analysis, being important for design of industrial processes, has been scarcely performed for transforming syngas to alcohols, C1À C4. [68][69][70] In [70] equilibrium concentrations were calculated for alcohols formation and the water gas shift reaction. Evaluation of the maximum yields of various products for CO and H 2 feeds of 0.3 and 0.7 molar fractions under 3.0 MPa revealed that butanol is the main product with the molar fraction of 0.78 at 277 °C followed by propanol with 0.18 (Figure 11).…”

Section: Thermodynamics For Higher Alcohol Formation From Syngasmentioning

confidence: 99%

“…Reproduced from ref. [70] Copyright (1999) with permission from Elsevier Ltd. 2CoCu catalyst, [32] Co-MoS 2 -K 2 CO 3 , [42] KÀ CoRhMo supported on carbon nanohorn [25] and KÀ CoRhMo/MWCNT. [73] Over CoFeÀ CNa supported on α-FeOOH nanorods, the reaction rate was enhanced with increasing temperature and at the same time conversion and selectivity to CO 2 , methane and alkanes increased, while selectivity to ROH and olefins exhibited maxima.…”

Section: Effect Of Temperaturementioning

confidence: 99%

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Sustainable Aviation Fuel from Syngas through Higher Alcohols

et al. 2022

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The current review critically summarizes recent developments in transformations of syngas to higher alcohols. Although higher alcohols have found applications as fuel additives, detergents and plastics for a long while, transformation of alcohols to jet fuel has attained recent interest due to an urgent need to develop jet fuels from sustainable sources. Fermentation of lignocellulosic‐based sugars to ethanol as a technology does not compete with the food chain supply being thus a potentially acceptable route if economically viable. An alternative method is to gasify biomass to produce syngas, which can further be transformed to higher alcohols through several pathways. Jet fuel range alkanes are obtained from alcohols via oligomerisation, dehydration and hydrogenation. The highest space time yields of higher alcohols of 0.61 g/(gcath) is obtained over a bimetallic copper‐iron catalyst supported on a hierarchical zeolite at 300 °C and 5 MPa. Furthermore, copper‐cobalt and cobalt‐manganese compositions are promising for the direct synthesis of higher alcohols from syngas, where one of the challenges is to suppress formation of alkanes and CO2 and increase selectivity to higher alcohols. From the mechanistic point of view, it has been proposed to use dual‐site catalysts, where one site promotes hydrogenation, while the other site is required for the chain growth. In addition to selection of the optimum reaction conditions and catalyst properties, kinetic modelling, thermodynamics and scale up issues are discussed.

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Section: Thermodynamics For Higher Alcohol Formation From Syngasmentioning

confidence: 90%

Section: Catalyst Activation Thermodynamics and Effect Of The Reactio...mentioning

confidence: 94%

Section: Catalyst Activation Thermodynamics and Effect Of The Reactio...mentioning

confidence: 99%

Section: Thermodynamics For Higher Alcohol Formation From Syngasmentioning

confidence: 99%

Section: Effect Of Temperaturementioning

confidence: 99%

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Sustainable Aviation Fuel from Syngas through Higher Alcohols

et al. 2022

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Equilibrium calculations for direct synthesis of dimethyl ether from syngas

Moradi¹,

Ahmadpour²,

Yaripour³

et al. 2010

Can J Chem Eng

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Thermodynamic analysis of single-step synthesis of dimethyl ether (DME) from syngas over a bi-functional catalyst (BFC) in a slurry bed reactor has been investigated as a function of temperature (200-240 • C), pressure (20-50 bar), and composition feed ratio (H 2 /CO: 1-2). The BFC was prepared by physical mixing of CuO/ZnO/Al 2 O 3 as a methanol synthesis catalyst and H-ZSM-5 as a methanol dehydration catalyst. The three reactions including methanol synthesis from CO and H 2 , methanol dehydration to DME and water-gas shift reaction were chosen as the independent reactions. The equilibrium thermodynamic analysis includes a theoretical model predicting the behaviour and a comparison to experimental results. Theoretical model calculations of thermodynamic equilibrium constants of the reactions and equilibrium composition of all components at different reaction temperature, pressure, and H 2 /CO ratio in feed are in good accordance with experimental values.L'analyse thermodynamique de la synthèse en uneétape du méthoxyméthane du gaz de synthèse sur un catalyseur bifonctionnel dans un réacteur a lit bouillonnant aétéétudiée comme une fonction de température (200à 240 •C), de pression (20à 50 bars) et de rapport d'alimentation compositionnel (H2/CO: 1-2). Le catalyseur bifonctionnelétait préparé par un mélange physique de CuO/ZnO/Al2O3 comme un catalyseur de synthèse de méthanol et de H-ZSM-5 comme un catalyseur de déshydratation du méthanol. Les trois réactions, soit la synthèse du méthanol du CO et du H2, la déshydratation du méthanol en méthoxyméthane et la conversion catalytique, ontété choisies comme réactions indépendantes. L'analyse thermodynamique de l'équilibre comprend un modèle théorique qui prédit le comportement et une comparaison par rapport aux résultats expérimentaux. Les calculs du modèle théorique des constantes de l'équilibre thermodynamique des réactions et la composition d'équilibre de tous les composantsà différentes températures de réaction, différentes pressions et un différent rapport H2/CO dans l'alimentation cadrent bien avec les valeurs expérimentales.

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