Electrocatalytic conversion of CO into a long-chain hydrocarbon represents an important research direction in adding value to CO-based chemicals and realizing its practical application. Long-chain hydrocarbons may change the current fossil fuel-based industry in that those chemicals have a similar energy density as gasoline, high compatibility with the current infrastructure, and low hydroscopicity for pipeline distribution. However, most of the electrocatalysts produce C, C, and C chemicals, and methods for producing long-chain hydrocarbons are not available thus far. Interestingly, nature utilizes many enzymes to generate long-chain hydrocarbons using C building blocks and suggests key mechanisms, inspiring new perspective in the design of electrocatalysts. In this Perspective, we present case studies to demonstrate how CO and its reductive derivatives interact with the electrode surface during C-C bond formation and introduce how these issues are addressed in biological systems. We end this Perspective by outlining possible strategies to translate the natural mechanism into a heterogeneous electrode.
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http://dx.doi.org/10.1021/acs.jpclett.6b02748 | DOI Listing |
Langmuir
January 2025
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, PR China.
Aqueous film-forming foam (AFFF) is a targeted product for liquid fuel fires and has the benefits of a long storage period and high fire extinguishing efficiency. However, because of the toxicity and bioaccumulation of the core raw material's long-chain fluorocarbon surfactant, traditional AFFF is being phased out. For this reason, three efficient AFFFs (F-1, F-2, and F-3; more details in Table 2) were designed using anionic surfactants (PBAF) with branched C perfluorinated chains, hexadecyltrimethylammonium bromide (CTAB), and dodecyl dimethyl betaine (BS-12) as core materials.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, Shanghai Frontiers Science Center of Molecule Intelligent Syntheses, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China.
Chemical kinetics for second oxygen addition reactions (·QOOH + O) of long-chain alkanes are of great importance in low-temperature combustion technologies. However, kinetic data for key reactions of ·QOOH + O systems are often difficult to obtain experimentally and are primarily estimated or calculated by using theoretical methods. In this work, barrier heights (BHs), reaction energies (Δs), and relative energies (REs) of stationary points for key reactions of two representative ·QOOH + O systems in the low-temperature oxidation of -butyl as well as pressure-dependent rate constants for the involved reactions are calculated with the high-level quantum chemical method CCSD(T)-F12b/CBS.
View Article and Find Full Text PDFNat Commun
January 2025
Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
J Hazard Mater
January 2025
State Key Laboratory of Soil and Sustainable Agriculture, Institute of Soil Science, Chinese Academy of Sciences, Nanjing 211135, China.
Bioaugmentation offers an effective strategy for the bioremediation of petroleum-contaminated soils. However, little is known about petroleum hydrocarbons (PHs) degradation with thermophilic consortium application under high temperature. A microcosm was established to study hydrocarbons degradation, microbial communities and functional genes response using a thermophilic petroleum-degrading consortium HT.
View Article and Find Full Text PDFLangmuir
January 2025
Hubei Key Laboratory of Oil and Gas Exploration and Development Theory and Technology (China University of Geosciences), Wuhan 430074, China.
The strong solid-liquid interaction leads to the complicated occurrence characteristics of shale oil. However, the solid-liquid interface interaction and its controls of the occurrence state of shale oil are poorly understood on the molecular scale. In this work, the adsorption behavior and occurrence state of shale oil in pores of organic/inorganic matter under reservoir conditions were investigated by using grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations.
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