Libration points of a rotating complexified triangle

Баландин, Д. В.; Nikonov, V. I.

doi:10.3103/s0027133016030018

Cited by 4 publications

(3 citation statements)

References 6 publications

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“…at the beginning of the 20th century. He published at least 14 papers on the topic [265–278] . In the 1970s and 1980s, Shishido and Masuda in Japan and Górski and Kraśnicka in Poland investigated the coupling reaction focusing on the different gaseous products from formate decomposition concerning the solid reaction products [279–284] .…”

Section: Formate/formic Acid To Oxalic Acidmentioning

confidence: 99%

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Towards Sustainable Oxalic Acid from CO₂and Biomass

et al. 2021

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To quickly and drastically reduce CO2 emissions and meet our ambitions of a circular future, we need to develop carbon capture and storage (CCS) and carbon capture and utilization (CCU) to deal with the CO2 that we produce. While we have many alternatives to replace fossil feedstocks for energy generation, for materials such as plastics we need carbon. The ultimate circular carbon feedstock would be CO2. A promising route is the electrochemical reduction of CO2 to formic acid derivatives that can subsequently be converted into oxalic acid. Oxalic acid is a potential new platform chemical for material production as useful monomers such as glycolic acid can be derived from it. This work is part of the European Horizon 2020 project “Ocean” in which all these steps are developed. This Review aims to highlight new developments in oxalic acid production processes with a focus on CO2‐based routes. All available processes are critically assessed and compared on criteria including overall process efficiency and triple bottom line sustainability.

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Section: Formate/formic Acid To Oxalic Acidmentioning

confidence: 99%

“…Hydroxides lower the reaction temperature relative to the uncatalyzed reaction by approximately 50 °C and increase the selectivity to oxalate. The oxalate yield in an industrial process could be drastically increased to 75 % using KOH in comparison to 12 % for uncatalyzed potassium formate at 410 °C [273,275] …”

Section: Formate/formic Acid To Oxalic Acidmentioning

confidence: 99%

Towards Sustainable Oxalic Acid from CO₂and Biomass

et al. 2021

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“…Back‐bonding combined with the linear relationship between activation and reaction free energies is arguably the cause of the Sabatier principle that too strong binding of the ligand to the catalyst impairs reactivity, because while it aids the breaking of the inter‐ligand bond (e. g. O−O), it simultaneously limits the diffusion and release of O atoms, as required for turnover . This compensation of effects may produce a maximal activity along a series of increasing binding strengths, i. e. a “volcano curve”, and a central challenge of catalysis is therefore to scrutinize and if necessary, circumvent the limitations enforced by this relationship when it prevails . If back‐bonding drives these relationships, understanding it in detail should be of major interest.…”

Section: Introductionmentioning

confidence: 99%

Dioxygen Binding to all 3d, 4d, and 5d Transition Metals from Coupled‐Cluster Theory

Moltved

Kepp

2020

ChemPhysChem

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Understanding how transition metals bind and activate dioxygen (O 2) is limited by experimental and theoretical uncertainties, making accurate quantum mechanical descriptors of interest. Here we report coupled-cluster CCSD(T) energies with large basis sets and vibrational and relativistic corrections for 160 3d, 4d, and 5d metal-O 2 systems. We define four reaction energies (120 in total for the 30 metals) that quantify OÀ O activation and reveal linear relationships between metal-oxygen and OÀ O binding energies. The CCSD(T) data can be combined with thermochemical cycles to estimate chemisorption and physisorption energies for each metal from metal oxide embedding energies, in good correlation with atomization enthalpies (R 2 = 0.75). Spin-geometry variations can break the linearities, of interest to circumventing the Sabatier principle. Pt, Pd, Co, and Fe form a distinct group with the weakest O 2 binding. R 2 up to 0.84 between surface adsorption energies and our energies for MO 2 systems indicate relevance also to real catalytic systems.

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