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Related Concept Videos

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

Combustion Energy: A Measure of Stability in Alkanes and Cycloalkanes

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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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Constant Volume Calorimetry

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Calorimeters are useful to determine the heat released or absorbed by a chemical reaction. Coffee cup calorimeters are designed to operate at constant (atmospheric) pressure and are convenient to measure heat flow (or enthalpy change) accompanying processes that occur in solution at constant pressure. A different type of calorimeter that operates at constant volume, colloquially known as a bomb calorimeter, is used to measure the energy produced by reactions that yield large amounts of heat and...
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Standard Enthalpy of Formation

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Enthalpy changes are typically tabulated for reactions in which both the reactants and products are at the same conditions. A standard state is a commonly accepted set of conditions used as a reference point for the determination of properties under other different conditions. For chemists, the IUPAC standard state refers to materials under a pressure of 1 bar and solutions at 1 M and does not specify a temperature. Many thermochemical tables list values with a standard state of 1 atm. Because...
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Combustion, commonly known as burning, is a reaction in which a substance reacts with an oxidizing agent, which in most cases is molecular oxygen, to liberate energy in the form of heat, light, or sound. The heat of combustion is also known as the enthalpy of combustion. The energy released when one mole of a substance undergoes complete combustion at constant pressure is called molar heat of combustion. Combustion reactions are exothermic; that is, they release energy, and their ΔH sign...
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If a reaction has a small equilibrium constant, the equilibrium position favors the reactants. In such reactions, a negligible change in concentration may occur if the initial concentrations of reactants are high and the Kc value is small. In such circumstances, the equilibrium concentration is approximately equal to its initial concentration.  This estimation can be used to simplify the equilibrium calculations by assuming that some equilibrium concentrations are equal to the initial...
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Flame photometry, also known as flame emission spectrometry, is a technique used for the qualitative and quantitative analysis of elements present in a sample using a flame as the source of excitation energy. The concept of flame photometry was realized in the early 1860s by Kirchhoff and Bunsen, who discovered that specific elements emit characteristic radiation when excited in flames. The first instrument developed for this purpose was used to measure sodium (Na) in plant ash using a Bunsen...
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Updated: Oct 18, 2025

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer
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Data Ecosystems for Scientific Experiments: Managing Combustion Experiments and Simulation Analyses in Chemical

Edoardo Ramalli1, Gabriele Scalia1, Barbara Pernici1

  • 1Department of Electronics, Information and Bioengineering, Politecnico di Milano, Milano, Italy.

Frontiers in Big Data
|October 4, 2021
PubMed
Summary
This summary is machine-generated.

This study introduces an automated data ecosystem for managing scientific data quality. It enhances predictive modeling by systematically extracting knowledge from experimental data and models, saving research time.

Keywords:
combustion kineticsdata managementdata qualitydata validationexperiments managementscientific experimentsscientific model developmentsimulation analysis

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Area of Science:

  • Chemical Engineering
  • Scientific Data Management
  • Predictive Modeling

Background:

  • Scientific predictive models are crucial for forecasting outcomes and improving efficiency, particularly in combustion kinetics.
  • Increasing data availability accelerates model improvement but presents data quality challenges due to heterogeneous sources and uncertainties.
  • Existing data management approaches struggle with integrating diverse, decades-old experimental data.

Purpose of the Study:

  • To develop an automated data ecosystem for robust data quality management in scientific research.
  • To systematically extract knowledge from experimental data and predictive models.
  • To extend the SciExpeM framework for improved data integration and quality control.

Main Methods:

  • Implementation of an innovative data quality management approach within the extended SciExpeM scientific framework.
  • Development of a new methodology for systematic knowledge extraction from experimental data and predictive models.
  • Integration of heterogeneous information sources into a quality-controlled repository.

Main Results:

  • Demonstration of a generalizable framework for supporting scientific model development processes.
  • Successful extraction of knowledge from experimental data and predictive models.
  • Establishment of a quality repository for heterogeneous scientific data.

Conclusions:

  • The proposed automated data ecosystem effectively manages data quality from heterogeneous scientific sources.
  • The framework supports scientific model development by enabling systematic knowledge extraction, saving research time.
  • This approach is applicable to other experimental domains dealing with numerical data management.