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Related Concept Videos

Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes02:14

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The low reactivity in alkanes can be attributed to the non-polar nature of C–C and C–H σ bonds. Alkanes, therefore, were  initially termed as “paraffins,” derived from the Latin words: parum, meaning “too little,” and affinis, meaning “affinity.”
Alkanes undergo combustion in the presence of excess oxygen and high-temperature conditions to give carbon dioxide and water. A combustion reaction is the energy source in natural gas, liquified...
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The acid-catalyzed addition of water to the double bond of alkenes is a large-scale industrial method used to synthesize low-molecular-weight alcohols. An acidic atmosphere is required to allow the hydrogen in the water molecule to act as an electrophile and attack the double bond in an alkene. The addition of a proton to the double bond creates a carbocation intermediate. The proton preferentially bonds to the less substituted end of the double bond to create a more stable carbocation...
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Preparation of Alcohols via Substitution Reactions01:38

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Alcohols can be synthesized from alkyl halides via nucleophilic substitution reactions. The highly polar carbon-halogen bond in the substrate makes halide a good leaving group.  The hydroxide ion or water can act as a nucleophile to take the place of halide and form an alcohol. The substitution reactions occur via two different reaction pathways, SN1 or SN2,  depending on the nature of carbon attached to the halide.
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Kinetic Studies and Significance
In a chemical reaction, a relationship exists between the concentration of reactants and the rate at which the reaction proceeds. The study to measure this relationship is known as the kinetics of a chemical reaction. Kinetic studies are used to deduce the rate law of a chemical reaction, which provides information about the species involved during the transition state of the rate-determining step. Thus, kinetic studies help to derive the mechanism of a...
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This lesson delves into the conversion of alcohols to corresponding alkyl halides and the mechanism of action for different reagents. Typically, the hydroxyl group is first protonated to convert it to a stable leaving group. Consequently, based on the starting alcohol, the mechanism undergoes either of the nucleophilic substitution routes, SN1 or SN2. Tertiary alkyl halides are made using the two-step SN1 mechanism that occurs via a carbocation intermediate, which is stabilized by...
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Reduction is a simple strategy to convert a carbonyl group to a hydroxyl group. The three major pathways to reduce carbonyls to alcohols are catalytic hydrogenation, hydride reduction, and borane reduction.
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Combustion of n-C3-C6 Linear Alcohols: An Experimental and Kinetic Modeling Study. Part I: Reaction Classes, Rate

M Pelucchi1, S Namysl2, E Ranzi1

  • 1CRECK Modeling Lab, Department of Chemistry Materials and Chemical Engineering, Politecnico di Milano, 20133 Milano, Italy.

Energy & Fuels : an American Chemical Society Journal
|November 30, 2020
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Summary

This study presents an updated kinetic model for n-propanol to n-hexanol combustion, validated with new experimental data. The model accurately predicts pyrolysis and oxidation, aiding sustainable fuel development.

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Area of Science:

  • Combustion Chemistry
  • Chemical Kinetics
  • Thermodynamics

Background:

  • Accurate kinetic models are crucial for understanding and predicting fuel combustion behavior.
  • Existing models often require updates to encompass a wider range of fuels, including alcohols.
  • Experimental data is essential for validating and refining these kinetic models.

Purpose of the Study:

  • To develop and validate a comprehensive kinetic model for the pyrolysis and oxidation of n-C3-C6 alcohols.
  • To provide new experimental data for jet-stirred reactor (JSR) speciation and rapid compression machine (RCM) ignition delay times.
  • To enable the assessment of combustion properties for sustainable fuels and fuel mixtures.

Main Methods:

  • Systematic update of kinetic subsets from the CRECK kinetic model for alcohol pyrolysis and oxidation.
  • Application of the reaction class approach to determine kinetic parameters based on literature data.
  • Generation of new experimental data including speciation measurements in a JSR and ignition delay times in an RCM.
  • Validation of the kinetic model using the newly obtained experimental data and literature data for n-octanol oxidation.

Main Results:

  • An extensively validated lumped kinetic model for n-C3-C6 alcohols (n-propanol, n-butanol, n-pentanol, n-hexanol) was developed.
  • New experimental data for speciation and ignition delay times were generated and presented.
  • The model demonstrated good predictive capability for alcohol pyrolysis and high/low-temperature oxidation.
  • The model successfully predicted n-octanol oxidation, showing its extensibility.

Conclusions:

  • The developed kinetic model provides a reliable tool for simulating alcohol combustion.
  • The new experimental data serve as valuable targets for future kinetic model development and validation.
  • This work contributes to the assessment of sustainable fuels and fuel mixtures by providing a robust combustion model.