Thermodynamic Analysis of CO₂ Hydrogenation to Higher Alcohols (C_2–4OH): Effects of Isomers and Methane

Abstract

Synthesis of higher alcohols (C 2–4 OH) by CO 2 hydrogenation presents a promising way to convert CO 2 into value-added fuels and chemicals. Understanding the thermodynamics of CO 2 hydrogenation is of great importance to tailor the reaction network toward synthesis of higher alcohols; however, the thermodynamic effects of various alcohol isomers and methane in the reaction system have not yet been fully understood. Thus, we used Aspen Plus to perform thermodynamic analysis of CO 2 hydrogenation to higher alcohols, studying the effects of alcohol isomers and methane. Thermodynamically, methane is the most favorable product in a reaction system containing CO, CO 2 , and H 2 , as well as C 1–4 alkanes, alkenes, and alcohols. The thermodynamic favorability of alcohol isomers varies significantly. The presence of methane generally deteriorates the formation of higher alcohols. However, low temperature, high pressure, high H 2 /CO 2 ratio, and formation of alcohols with a longer carbon chain can reduce the effects of methane. Our current study, therefore, provides new insights for enhancing the synthesis of higher alcohols by CO 2 hydrogenation.

Thermodynamic Analysis of CO2 Hydrogenation to Ethanol: Solvent Effects

“…At a constant temperature and pressure, a system‘s Gibbs free energy reaches minimum at equilibrium. The RGibbs model develops a general expression for the Gibbs energy of the system in terms of the number of moles of all species (i.e., reactants, products, and inert species) present in all phases [8,29] . By varying the number of moles of each species in each phase subjected to the stoichiometric constraints, the minimum total Gibbs energy can be obtained.…”

“…The RGibbs model develops a general expression for the Gibbs energy of the system in terms of the number of moles of all species (i.e., reactants, products, and inert species) present in all phases. [8,29] By varying the number of moles of each species in each phase subjected to the stoichiometric constraints, the minimum total Gibbs energy can be obtained. The PSRK property method is used to calculate the properties of the fluid.…”

“…Carbon capture and utilization (CCU) presents one of the key technologies to reduce CO 2 emissions and mitigate global warming. Moreover, it can convert CO 2 to value‐added chemicals and fuels through CO 2 hydrogenation, enabling the production of a wide range of products such as CO, methane, long‐chain hydrocarbons, olefins, methanol, and higher alcohols [1–9] . Among the higher alcohols, ethanol can be used as a fuel additive, alternative fuel, solvent, detergent, as well as disinfectant, and thus is drawing increasing interest.…”

“…Moreover, it can convert CO 2 to value-added chemicals and fuels through CO 2 hydrogenation, enabling the production of a wide range of products such as CO, methane, long-chain hydrocarbons, olefins, methanol, and higher alcohols. [1][2][3][4][5][6][7][8][9] Among the higher alcohols, ethanol can be used as a fuel additive, alternative fuel, solvent, detergent, as well as disinfectant, and thus is drawing increasing interest. The global annual ethanol production has reached 110 billion liters.…”

Is ChatGPT a Reliable Source for Writing Review Articles in Catalysis Research? A Case Study on CO2 Hydrogenation to Higher Alcohols

“…Higher alcohols, such as C2-4OH, have a wide range of uses, including as fuels, fuel additives, solvents, reactants, and intermediates for chemical synthesis, making them highly valuable [28][29][30] . As such, the synthesis of higher alcohols through CO2 hydrogenation has garnered significant attention [30][31][32][33] . In this paper, we evaluate the reliability of ChatGPT in catalysis research by analyzing a review paper generated by ChatGPT on heterogeneous catalysts for the synthesis of higher alcohols through CO2 hydrogenation.…”