Thermodynamic Analysis, Kinetics Modeling, and Reactor Model Development for Acetic Acid Hydrogenation Reaction over Bimetallic Pt–Sn Catalyst

Rakshit, Pranab Kumar; Pathak, Shailesh; Voolapalli, Ravi Kumar; Upadhyayula, Sreedevi

doi:10.1021/acs.energyfuels.9b04070

Cited by 8 publications

(7 citation statements)

References 28 publications

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“…For simplification, the formation of ethyl acetate as a by-product was neglected. This assumption is supported by the relatively low conversion level, as Rakshit et al (2020) showed that the degree of esterification, as a consecutive reaction to the main reaction, can be reduced at lower conversion levels.…”

Section: Acetic Acid Hydrogenation To Ethanolmentioning

confidence: 87%

“…Adapting the findings of Rakshit et al (2020), the acetic acid hydrogenation reactor was modelled as a stoichiometric reactor operated isothermally at 240 °C and 30 bar, with the conversion of the main reaction (Eq. 11) set to 75% as a conservative estimate.…”

Section: Acetic Acid Hydrogenation To Ethanolmentioning

confidence: 99%

“…Acetic acid (97 w-%) from the Cativa process is pumped to the reaction pressure of 30 bar, while hydrogen is supplied at 30 bar from water electrolysis. The fresh acid and hydrogen streams are mixed with the gas and liquid recycles, and the feed mixture is heated to the reaction temperature of 240 °C. The makeup hydrogen rate is adjusted to set the H 2 :Ac ratio to 5, which equals the minimum suggested by Rakshit et al (2020).…”

Section: Acetic Acid Hydrogenation To Ethanolmentioning

confidence: 99%

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Techno-Economic Evaluation of Novel Hybrid Biomass and Electricity-Based Ethanol Fuel Production

et al. 2022

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In order to limit climate change, fast greenhouse gas reductions are required already before 2030. Ethanol commonly produced by fermentation of sugars derived either from starch-based raw material such as corn, or lignocellulosic biomass is an established fuel decarbonizing the transport sector. We present a novel selective and flexible process concept for the production of ethanol with electricity and lignocellulosic biomass as main inputs. The process consists of several consecutive steps. First synthesis gas from gasification of biomass is purified by filtration and reforming and fed to methanol synthesis. The produced methanol is fed to acetic acid synthesis, together with a carbon monoxide-rich stream separated from the synthesis gas by membranes. Finally, acetic acid is hydrogenated to yield ethanol. With the exception of acetic acid hydrogenation, the overall process consists of technically mature subprocesses. Each process step was modelled in Aspen Plus to generate the mass and energy balances for the overall process. Additionally, the CO2 emissions and economic feasibility were assessed. Three separate cases were investigated. In the first two cases, the syngas carbon (CO and CO2) was split between methanol and acetic acid synthesis. The cases included either allothermal (case A) or electrically heated reforming (case B). In case C, maximum amount of CO was sent to acetic acid synthesis to maximize the acetic acid output, requiring a small additional carbon dioxide input to methanol synthesis. In all cases, additional hydrogen to methanol synthesis was provided by water electrolysis. Each case was designed at biomass input of 27.9 MW and the electrolyzer electricity requirement between 36 and 43.5 MW, depending on the case. The overall energy efficiency was calculated at 53–57%, and carbon efficiencies were above 90%. The lowest levelized cost of ethanol was 0.65 €/l, at biomass cost of 20 €/MWh and electricity cost of 45 €/MWh and production scale of approximately 42 kt ethanol per year. The levelized cost is competitive with the current biological route for lignocellulosic ethanol production. The ethanol price is very sensitive to the electricity cost, varying from 0.56 to 0.74 €/l at ±30% variation in electricity cost.

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Section: Acetic Acid Hydrogenation To Ethanolmentioning

confidence: 87%

Section: Acetic Acid Hydrogenation To Ethanolmentioning

confidence: 99%

Section: Acetic Acid Hydrogenation To Ethanolmentioning

confidence: 99%

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Techno-Economic Evaluation of Novel Hybrid Biomass and Electricity-Based Ethanol Fuel Production

et al. 2022

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“…In this substudy, two software packages (SuperPro Designer and ASPEN Plus Process Simulator) were used to develop large-scale simulation models for producing bioethanol from FW via biocatalytic and catalytic processes. The SuperPro Designer specialized for the modeling of the biocatalytic process was used for the simulation of AA and biogas production from food waste. , In addition, the ASPEN Plus Process Simulator specialized for modeling the catalytic conversion and separation was used for the simulation of AA extraction and conversion to produce bioethanol. , …”

Section: Methodsmentioning

confidence: 99%

Carbon-Negative Food Waste-Derived Bioethanol: A Hybrid Model of Life Cycle Assessment and Optimization

Byun

Kwon

Kim

et al. 2022

ACS Sustainable Chem. Eng.

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Food waste (FW) can be converted to bioethanol via anaerobic digestion (AD) and catalytic biorefinery processes, and bioethanol can be used as a vehicle fuel. In the present study, a hybrid model framework combining three different models (i.e., process simulation, life cycle assessment (LCA), and supply-chain network (SCN) optimization) is proposed to assess the environmental impacts on FW-based vehicle operation. First, a conceptual design of a large-scale process is simulated for AD and biorefinery processes. The overall energy efficiency of the integrated AD and biorefinery process is estimated to be 16.2%. A "well-to-wheel" LCA of FW-based bioethanol production and vehicle operation in South Korea in 2030, which is a new FW scenario, is performed and compared with the LCA of conventional FW treatment and gasoline-fuel vehicle operation. The LCA results show that the global warming (GW) impacts of the new FW scenario are carbon-negative (−5.58 kg CO 2 equiv. per 1 gal of bioethanol) and 14.1% lower than the GW impacts of the conventional scenario. An integrated SCN optimization model for "well-to-pump" FW-derived bioethanol production and "pump-to-wheel" vehicle operation is then proposed to minimize the total GW impact by simultaneously optimizing both strategic FW management and vehicle operation planning decisions. Three real policy-driven scenario studies (according to the utilization rate of FW valorization to vehicle fuel) were analyzed by the developed hybrid model, and the results show that the GW impacts of each scenario are −0.69, −0.99, and −1.29 kg CO 2 equiv. per 1 gal of bioethanol, leading to carbon-negative impacts by 2030.

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“…Thermodynamics investigation involves studies on the whole reaction process in the steady state without considering the reaction kinetics aspects, e.g., the reaction rate and reaction time, from which one can know the degree of a reaction under different reaction parameters and the distribution of the products at equilibrium. , These thermodynamics insights can direct the catalysts’ design and reactor operation toward the target products. − For the hydrogenation of alkynes and/or dienes in C 2 and C 3 streams, the simple thermodynamics analysis suggests that the formation of alkanes and green oil is thermodynamically favorable . However, due to the complexity of the hydrogenation processes in C 2 and C 3 streams, as schematically illustrated in Figure , more detailed and systematic thermodynamics investigations are of significance for the catalysts’ design and operation guidance, but are yet to be conducted.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics Insights into the Selective Hydrogenation of Alkynes in C₂ and C₃ Streams

Chen

Yan

Cao

et al. 2021

Ind. Eng. Chem. Res.

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Selective hydrogenation of alkynes in C2 and C3 streams from steam cracking of naphtha is significant for the production of polymer-grade ethylene and propylene. Herein, a comprehensive thermodynamics analysis for the selective hydrogenation of alkynes with focus on the formation of alkanes and green oil is carried out using the Gibbs free energy minimization method. For acetylene hydrogenation in C2 stream, it is demonstrated that the formation of ethane is suppressed with decreasing ratio of H2/C2H2 and temperature, but with increasing pressure. Besides, high temperature and low pressure as well as low H2/C2H2 ratio are thermodynamically favorable for the formation of the green oil precursor, i.e., C4 components. Similarly, high temperature and low pressure are also thermodynamically favorable for the formation of propane and hexadiene during the hydrogenation of methyl acetylene and propadiene (MAPD) in C3 stream. In addition, the formation of propane is facilitated at high H2/MPAD ratio, but that of hexadiene is suppressed. With more focus on the long-chain components, i.e., C18 components, it is found that the green oil formed in the hydrogenations in C2 and C3 streams thermodynamically tends to be in the form of long-chain components, which prefer to decompose with increasing temperature and decreasing pressure. This thermodynamics analysis would bring more insights into the design of new hydrogenation catalysts and/or regeneration for the deactivated catalysts.

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Thermodynamic Analysis, Kinetics Modeling, and Reactor Model Development for Acetic Acid Hydrogenation Reaction over Bimetallic Pt–Sn Catalyst

Cited by 8 publications

References 28 publications

Techno-Economic Evaluation of Novel Hybrid Biomass and Electricity-Based Ethanol Fuel Production

Techno-Economic Evaluation of Novel Hybrid Biomass and Electricity-Based Ethanol Fuel Production

Carbon-Negative Food Waste-Derived Bioethanol: A Hybrid Model of Life Cycle Assessment and Optimization

Thermodynamics Insights into the Selective Hydrogenation of Alkynes in C₂ and C₃ Streams

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Thermodynamic Analysis, Kinetics Modeling, and Reactor Model Development for Acetic Acid Hydrogenation Reaction over Bimetallic Pt–Sn Catalyst

Cited by 8 publications

References 28 publications

Techno-Economic Evaluation of Novel Hybrid Biomass and Electricity-Based Ethanol Fuel Production

Techno-Economic Evaluation of Novel Hybrid Biomass and Electricity-Based Ethanol Fuel Production

Carbon-Negative Food Waste-Derived Bioethanol: A Hybrid Model of Life Cycle Assessment and Optimization

Thermodynamics Insights into the Selective Hydrogenation of Alkynes in C2 and C3 Streams

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Thermodynamics Insights into the Selective Hydrogenation of Alkynes in C₂ and C₃ Streams