Thermodynamic Analysis of CO₂ Hydrogenation to Ethanol: Solvent Effects

Abstract

CO 2 hydrogenation to ethanol presents an important way to reduce CO 2 emissions and mitigate global warming. Since the solvent plays a key role in this reaction (i. e. in a batch reactor), the thermodynamics is investigated herein using an RGibbs model in Aspen Plus to illustrate the effects of solvents with various dielectric constant and vapor pressure. Accordingly, it is found that the solvents possessing a high dielectric constant together with low vapor pressure favor ethanol synthesis thermodynamically. Furthermore, mixing a solvent having a high-dielectric-constant and high vapor pressure with another solvent having a low-dielectric-constant and low vapor pressure promotes ethanol synthesis thermodynamically.

Recent Understanding of Water‐Assisted CO2 Hydrogenation to Alcohols

“…Experimental atomic insights should be the next generation of studies in this field to advance the knowledge on this topic. Additionally, a detailed thermodynamic analysis is warranted, building upon the work of Fu et al., [57] which demonstrated that solvents with a high dielectric constant and low vapor pressure thermodynamically favor ethanol synthesis.…”

“…In comparison, at higher temperatures, the competition with reverse water-gas shift (rWGS) drastically decreases alcohol selectivity. [19,20] Based on this, some alternatives were explored to successfully remove water from reaction media, including the use of solid sorbents in the catalytic bed, like zeolite-based materials, [21,22] and carbon membranes. [23] In addition to the thermodynamic limitation, water also leads to the undesired oxidation of metallic active sites, commonly observed for copper-based systems.…”

“…At lower temperatures, it considerably grows, but the reaction is not kinetically favored. In comparison, at higher temperatures, the competition with reverse water‐gas shift (rWGS) drastically decreases alcohol selectivity [19,20] . Based on this, some alternatives were explored to successfully remove water from reaction media, including the use of solid sorbents in the catalytic bed, like zeolite‐based materials, [21,22] and carbon membranes [23] .…”

Synthesis of compounds based on the active domain of cabotegravir and their application in inhibiting tumor cells activity

“…Structural modification based on existing drugs, which ensures the safety of marketed drugs, is an essential approach to developing new drugs. [20] Cabotegravir (CAB) is a long‐acting HIV‐1 integrase strand transfer inhibitor that prevents the integration of viral DNA into the genome of human immune cells. [ 21 , 22 ] In HIV prevention (PrEP), cabotegravir is being investigated as a potential monotherapy and is considered an excellent candidate for PrEP due to its extended half‐life, allowing for less frequent dosing.…”

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.…”