4.6 Article

A Comparative Study on the Combustion Chemistry of Two Bio- hybrid Fuels: 1,3-Dioxane and 1,3-Dioxolane

Related references

Note: Only part of the references are listed.
Article Thermodynamics

Pathway exploration in low-temperature oxidation of a new-generation bio-hybrid fuel 1,3-dioxane

Can Huang et al.

Summary: The joint and flexible utilization of renewable electricity, ligno-cellulosic biomass, and/or CO 2 point sources to produce bio-hybrid fuels is a promising solution to achieve carbon neutrality while meeting the energy demand of the transportation sector.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2023)

Article Thermodynamics

Synergistic effect on PAH and soot formation in ethylene counterflow diffusion flames by the addition of 1,3-dioxolane-a bio-hybrid fuel

Maximilian Hellmuth et al.

Summary: Bio-hybrid fuels, which combine bio-based feedstocks and carbon dioxide with renewable electricity, offer a carbon-neutral and low-emissions solution for the transportation sector. In this study, the impact of 1,3-dioxolane on soot formation in ethylene counterflow diffusion flames was investigated. The addition of 1,3-dioxolane was found to have a synergistic effect on soot formation, with a maximum at 10% fuel mole fraction.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2023)

Article Thermodynamics

Solving the riddle of the high-temperature chemistry of 1,3-dioxolane

Alina Wildenberg et al.

Summary: This paper describes improvements made to the high-temperature chemistry model of 1,3-dioxolane through new experiments and quantum chemical calculations. The existing model was unable to reproduce the results of the new experiments, necessitating the inclusion of new reaction pathways and ab-initio rate parameters. Additionally, the low-temperature chemistry of linear intermediates was found to be critical even at high temperatures. The presented new mechanism successfully reproduces all experimental results.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2023)

Article Thermodynamics

In-situ laser diagnostic and numerical investigations of soot formation characteristics in ethylene and acetylene counterflow diffusion flames blended with dimethyl carbonate and methyl formate

Florence Cameron et al.

Summary: Oxygenated fuels, such as DMC and MeFo, have the potential to be used as gasoline substitutes to store renewable energy. However, the impact of fuel blending on soot formation is not well understood. This study investigated the soot formation in ethylene-based and acetylene-based fuels blended with DMC and MeFo in laminar counterflow diffusion flames. The results showed that blending DMC enhanced soot formation in ethylene-based flames, while blending MeFo reduced soot production. The findings were supported by a reaction pathway analysis based on chemical kinetic modeling.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2023)

Article Thermodynamics

Exploring the combustion chemistry of anisole in laminar counterflow diffusion-flames under oxy-fuel conditions

Bingjie Chen et al.

Summary: This study investigates the combustion chemistry of anisole under oxy-fuel conditions using both experimental and numerical simulation methods. The results show that the kinetic model used in the simulations overpredicts certain aromatic hydrocarbons, polycyclic aromatic hydrocarbons (PAH), and oxygenated polycyclic aromatic hydrocarbons (OPAH), suggesting issues with the reaction rate coefficients in PAH and OPAH chemistry. Preliminary updates to the kinetic model improve the predictions for benzofuran, naphthalene, and acenaphthylene.

COMBUSTION AND FLAME (2022)

Article Thermodynamics

Effect of methyl substituents, ring size, and oxygen on bond dissociation energies and ring-opening kinetics of five- and six-memb ere d cyclic acetals

Can Huang et al.

Summary: This study systematically calculated the bond dissociation energies of cyclic acetals and their derivatives, as well as the rate constants of subsequent ring-opening reactions of formed fuel radicals. The inclusion of two oxygens in the ring slightly changes the strain in the ring structure, but the BDEs still increase from five to six-membered ring species.

COMBUSTION AND FLAME (2022)

Article Thermodynamics

A new detailed kinetic model for surrogate fuels: C3MechV3.3

Shijun Dong et al.

Summary: This paper proposes a new surrogate fuel mechanism, C3MechV3.3, which can predict the combustion and emissions of real fuels. The mechanism has been tested against a comprehensive set of experimental data and shows good predictions for most of the data.

APPLICATIONS IN ENERGY AND COMBUSTION SCIENCE (2022)

Article Thermodynamics

Combined isochoric and isobaric acquisition methodology for accurate flame speed measurements from ambient to high pressures and temperatures

Chaimae Bariki et al.

Summary: This paper discusses the measurement techniques of laminar flame speed of combustible mixtures using the constant pressure method and the constant volume method. It reveals the verification of the assumption that unburned gas is compressed isentropically due to the expansion of burned gas, and the importance of combining both methods for high-fidelity data. The obtained data will be valuable for mechanism development and combustion modeling.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2021)

Article Thermodynamics

An experimental and kinetic modeling study on the oxidation of 1,3-dioxolane

Alina Wildenberg et al.

Summary: This study investigated the oxidation of 1,3-dioxolane and developed a detailed kinetic model to analyze the reaction pathways involved, showing a preference for ring opening beta-scission pathway in the fuel-in-air case. The findings provide insights into the ignition and combustion characteristics of 1,3-dioxolane, offering valuable information for biofuel production and combustion optimization.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2021)

Article Chemistry, Physical

Eco-friendly synthesis of valuable fuel bio-additives from glycerol

Christianah Aarinola Akinnawo et al.

Summary: Mesoporous ZrO2 exhibits good stability and selectivity in glycerol acetalization with aldehydes, with a selectivity of over 50% to 1,3-dioxane. This performance is attributed to its high surface area and Lewis acidity. The green application of meso-ZrO2 catalysts for sustainable acetalization of glycerol may be easily extended to other bio-based industrial processes.

CATALYSIS COMMUNICATIONS (2021)

Article Chemistry, Physical

Continuous Butadiyne Addition to Propargyl: A Radical-Efficient Pathway for Polycyclic Aromatic Hydrocarbons

Hanfeng Jin et al.

Summary: This study proposes an alternative mechanism for PAH growth, involving the reaction between propargyl radical and butadiyne to form larger radicals with newly fused aromatic rings. The proposed mechanism is supported by quantum chemical calculations, elementary reaction experiments, laminar flame analysis, and kinetic modeling, challenging the conventional wisdom on PAH growth.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)

Article Thermodynamics

Thermodynamics of glycerol and diols valorisation via reactive systems of acetals synthesis

Sergey P. Verevkin et al.

FLUID PHASE EQUILIBRIA (2020)

Article Thermodynamics

Exploring low temperature oxidation of 1-butene in jet-stirred reactors

Bingjie Chen et al.

COMBUSTION AND FLAME (2020)

Article Thermodynamics

Examination of a soot model in premixed laminar flames at fuel-rich conditions

Warumporn Pejpichestakul et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2019)

Article Chemistry, Multidisciplinary

Ruthenium-Catalyzed Synthesis of Cyclic and Linear Acetals by the Combined Utilization of CO2, H2, and Biomass Derived Diols

Kassem Beydoun et al.

CHEMISTRY-A EUROPEAN JOURNAL (2019)

Review Thermodynamics

Soot formation in laminar counterflow flames

Yu Wang et al.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2019)

Review Thermodynamics

A comprehensive review of measurements and data analysis of laminar burning velocities for various fuel plus air mixtures

Alexander A. Konnov et al.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2018)

Article Chemistry, Physical

Hydroperoxide Measurements During Low-Temperature Gas-Phase Oxidation of n-Heptane and n-Decane

Anne Rodriguez et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Article Thermodynamics

An experimental and theoretical comparison of C3-C5 linear ketones

Heiko Minwegen et al.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2017)

Article Multidisciplinary Sciences

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

Zhandong Wang et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)

Article Chemistry, Multidisciplinary

Tailor-made Molecular Cobalt Catalyst System for the Selective Transformation of Carbon Dioxide to Dialkoxymethane Ethers

Benjamin G. Schieweck et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Article Chemistry, Physical

Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames

Alexander M. Mebel et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2017)

Article Thermodynamics

An updated experimental and kinetic modeling study of n-heptane oxidation

Kuiwen Zhang et al.

COMBUSTION AND FLAME (2016)

Article Computer Science, Interdisciplinary Applications

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

Connie W. Gao et al.

COMPUTER PHYSICS COMMUNICATIONS (2016)

Article Chemistry, Physical

Experimental and Modeling Investigation of the Low-Temperature Oxidation of Dimethyl Ether

Anne Rodriguez et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2015)

Article Energy & Fuels

Laminar burning velocity of gasolines with addition of ethanol

P. Dirrenberger et al.

Article Chemistry, Physical

Experimental Investigation of the Low Temperature Oxidation of the Five Isomers of Hexane

Zhandong Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2014)

Article Thermodynamics

Soot formation in flames of model biodiesel fuels

Qiyao Feng et al.

COMBUSTION AND FLAME (2012)

Article Mechanics

Premixed flame propagation in a confining vessel with weak pressure rise

Andrew P. Kelley et al.

JOURNAL OF FLUID MECHANICS (2012)

Article Meteorology & Atmospheric Sciences

Quantification of biogenic volatile organic compounds with a flame ionization detector using the effective carbon number concept

C. L. Faiola et al.

ATMOSPHERIC MEASUREMENT TECHNIQUES (2012)

Review Chemistry, Multidisciplinary

Biofuel Combustion Chemistry: From Ethanol to Biodiesel

Katharina Kohse-Hoeinghaus et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)