2021
DOI: 10.1016/j.joule.2020.12.014
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Thermodynamic Discrimination between Energy Sources for Chemical Reactions

Abstract: In this work, we develop a framework to compare thermodynamic driving forces, namely temperature (thermal energy), pressure (mechanical energy), and voltage (electrical energy). When applied to multiple industrially practiced and nextgeneration reactions, our analysis reveals a clear division between reactions that traditionally rely on pressure and temperature as energy sources and those that rely on voltage. Our formulation provides a universal framework through which the impact of diverse energy sources on … Show more

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Cited by 18 publications
(15 citation statements)
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References 27 publications
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“…87 The errors associated with the description of certain types of gas-phase molecules and adsorbates can be larger, and correction schemes have be proposed in this regard. 88,89 Note that 0.15 eV already translates to an error of 300Â in the TOFs using eqn (5). This uncertainty in TOF is already higher than the 1-2 orders of magnitude differences in ECSA-normalized activity as noted in the previous section.…”
Section: Arrhenius Law: Small Steps Mean Giant Leaps and What It Means For Dft Simulationsmentioning
confidence: 76%
See 1 more Smart Citation
“…87 The errors associated with the description of certain types of gas-phase molecules and adsorbates can be larger, and correction schemes have be proposed in this regard. 88,89 Note that 0.15 eV already translates to an error of 300Â in the TOFs using eqn (5). This uncertainty in TOF is already higher than the 1-2 orders of magnitude differences in ECSA-normalized activity as noted in the previous section.…”
Section: Arrhenius Law: Small Steps Mean Giant Leaps and What It Means For Dft Simulationsmentioning
confidence: 76%
“…redox reactions involving 5-hydroxymethylfurfural and glycerol) have also been explored towards the production of high value fuels and chemicals. 3,4 Electrochemical conversion schemes offer several advantages over conventional thermal schemes including (i) operability at room temperature and pressure, 5 (ii) a highly distributed infrastructure, (iii) the use of abundant H 2 O molecules instead of expensive H 2 for hydrogenation reactions and (iv) the ability to achieve high selectivity towards the desired products preventing the production of wasteful/toxic byproducts.…”
Section: Introductionmentioning
confidence: 99%
“…As was highlighted above, both EC and TC play a vital role in the transformation of CO 2 into useful products. A similar mechanism was suggested for the EC CO 2 R to hydrocarbons and the TC modified Fischer–Tropsch (H 2 + CO 2 ) process on certain catalysts; , however, these two fields are generally considered as two separate disciplines . In a recent work, the activity of the same Ni–N–C catalyst was compared in the EC CO 2 reduction and the reverse water-gas-shift reaction.…”
Section: Introductionmentioning
confidence: 74%
“…A similar mechanism was suggested for the EC CO 2 R to hydrocarbons and the TC modified Fischer–Tropsch (H 2 + CO 2 ) process on certain catalysts; 52 , 53 however, these two fields are generally considered as two separate disciplines . 54 In a recent work, the activity of the same Ni–N–C catalyst was compared in the EC CO 2 reduction and the reverse water-gas-shift reaction. Through kinetic investigations, an analogous reactivity was found in the two processes; however, the absolute reaction rates were ca.…”
Section: Introductionmentioning
confidence: 99%
“…Thus, as a potential alternative, it is valuable to explore new processes where electricity can substitute for heat, which would be particularly compelling if they required low temperature and/or pressure to be inherently more efficient. 10 Most likely, electrochemical processes will not serve as a drop-in replacement for existing thermochemical technologies but instead will reinvent them and become clean alternatives. Because these are gigawatt-scale industries, technologies with potential for scale-up should be prioritized.…”
mentioning
confidence: 99%