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<p>The thermodynamic equilibrium of carbon dioxide hydrogenation to C<sub>1</sub> chemicals (i.e.; HCOOH, CO, HCHO, CH<sub>3</sub>OH, CH<sub>3</sub>OCH<sub>3</sub>, CH<sub>4</sub> and solid carbon) was studied using the non-stoichiometric approach. The effect of temperature (100–1000°C), pressure (1–40&#xa0;bar) and feed composition (H<sub>2</sub>/CO<sub>2</sub> = 0.1–10&#xa0;mol/mol) on equilibrium conversions and selectivities was investigated. Among CO<sub>2</sub> hydrogenation reactions, methanation and reverse water–gas shift (RWGS) are favored with high equilibrium yields (~ 100%) at low (&lt; 400°C) and &gt; 50% at high (&gt; 800°C) temperatures, respectively. The equilibrium coke amount versus H<sub>2</sub> mole fraction passes a maximum at substoichiometric H<sub>2</sub> concentrations that diminishes with increasing temperature within a temperature range of about 200–600&#xa0;℃ and pressure range of 1–40&#xa0;bar. The more desirable methanol and dimethyl ether (DME) products show negligible yields, but modest overall yields (&gt; 10%) are possible by kinetic control of methanation reaction using appropriate catalyst. Approach to equilibrium analysis shows that RWGS is much faster than methanol and DME formation over bifunctional Cu–based catalysts.</p> Graphical Abstract <p></p>

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Carbon Dioxide Hydrogenation to C1 Chemicals for E-Fuel Synthesis: A Comparative Thermodynamic Analysis Considering Solid Carbon Formation

  • 期刊论文

  • 发表日期：

    2025年4月14日

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  • Saeed Sahebdelfar,
  • Parisa Moghimpour Bijani

摘要

The thermodynamic equilibrium of carbon dioxide hydrogenation to C1 chemicals (i.e.; HCOOH, CO, HCHO, CH3OH, CH3OCH3, CH4 and solid carbon) was studied using the non-stoichiometric approach. The effect of temperature (100–1000°C), pressure (1–40 bar) and feed composition (H2/CO2 = 0.1–10 mol/mol) on equilibrium conversions and selectivities was investigated. Among CO2 hydrogenation reactions, methanation and reverse water–gas shift (RWGS) are favored with high equilibrium yields (~ 100%) at low (< 400°C) and > 50% at high (> 800°C) temperatures, respectively. The equilibrium coke amount versus H2 mole fraction passes a maximum at substoichiometric H2 concentrations that diminishes with increasing temperature within a temperature range of about 200–600 ℃ and pressure range of 1–40 bar. The more desirable methanol and dimethyl ether (DME) products show negligible yields, but modest overall yields (> 10%) are possible by kinetic control of methanation reaction using appropriate catalyst. Approach to equilibrium analysis shows that RWGS is much faster than methanol and DME formation over bifunctional Cu–based catalysts.

Graphical Abstract