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Homogeneous Equilibria for Gaseous Reactions02:15

Homogeneous Equilibria for Gaseous Reactions

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Homogeneous Equilibria for Gaseous Reactions
For gas-phase reactions, the equilibrium constant may be expressed in terms of either the molar concentrations (Kc) or partial pressures (Kp) of the reactants and products. A relation between these two K values may be simply derived from the ideal gas equation and the definition of molarity. According to the ideal gas equation:
30.2K
Chemical Equilibria: Systematic Approach to Equilibrium Calculations01:21

Chemical Equilibria: Systematic Approach to Equilibrium Calculations

1.8K
Equilibrium calculations for systems involving multiple equilibria are often complex. For example, to calculate the solubility of a sparingly soluble salt in an aqueous solution in the presence of a common ion, one must consider all the equilibria in this solution. Calculations for these systems can be complicated and tedious, so a systematic approach with a series of steps is often helpful. The process is detailed below.
The first step is to identify all the chemical reactions involved, The...
1.8K
Chemical Equilibria: Redefining Equilibrium Constant01:20

Chemical Equilibria: Redefining Equilibrium Constant

1.5K
The effect of an inert salt on the solubility of a sparingly soluble salt is known as the salt effect. The degree of the salt effect varies with the ionic strength of the solution, which in turn depends on the activity of the species in the solution. The activity is expressed as the product of concentration and the activity coefficient of the species.
To calculate the equilibrium constants of solutions of moderately high ionic strength, one must account for the salt effect. This redefined...
1.5K
Dynamic Equilibrium02:20

Dynamic Equilibrium

66.3K
A reversible chemical reaction represents a chemical process that proceeds in both forward (left to right) and reverse (right to left) directions. When the rates of the forward and reverse reactions are equal, the concentrations of the reactant and product species remain constant over time and the system is at equilibrium. A special double arrow is used to emphasize the reversible nature of the reaction. The relative concentrations of reactants and products in equilibrium systems vary greatly;...
66.3K
Free Energy Changes for Nonstandard States03:25

Free Energy Changes for Nonstandard States

13.8K
The free energy change for a process taking place with reactants and products present under nonstandard conditions (pressures other than 1 bar; concentrations other than 1 M) is related to the standard free energy change according to this equation:
13.8K
The Equilibrium Constant03:10

The Equilibrium Constant

59.4K
Consider the oxidation of sulfur dioxide:
59.4K

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Related Experiment Video

Updated: Mar 22, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

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Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

Mahdi Kooshkbaghi1, Christos E Frouzakis1, Konstantinos Boulouchos1

  • 1Aerothermochemistry and Combustion Systems Laboratory, Swiss Federal Institute of Technology, Zurich CH-8092, Switzerland.

The Journal of Physical Chemistry. A
|April 27, 2016
PubMed
Summary
This summary is machine-generated.

The Spectral Quasi-Equilibrium Manifold (SQEM) method simplifies complex chemical kinetics. This validated model reduction technique accurately describes combustion reactions, outperforming other methods like Rate-Controlled Constrained-Equilibrium.

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Area of Science:

  • Chemical Kinetics
  • Computational Chemistry
  • Combustion Science

Background:

  • Model reduction is crucial for simulating complex chemical kinetics.
  • Existing methods may lack accuracy or efficiency for detailed mechanisms.

Purpose of the Study:

  • Revisit and validate the Spectral Quasi-Equilibrium Manifold (SQEM) method.
  • Apply SQEM to homogeneous combustion of H2, syngas, and CH4 mixtures.
  • Compare SQEM accuracy against direct integration and Rate-Controlled Constrained-Equilibrium (RCCE).

Main Methods:

  • Model reduction based on entropy maximization and slowest eigenvectors.
  • Validation using Michaelis-Menten kinetics.
  • Application to detailed reaction mechanisms in adiabatic constant pressure reactors.

Main Results:

  • SQEM quality correlates with temporal evolution and eigenvalue gaps.
  • SQEM provides good agreement with direct integration for H2, syngas, and CH4 combustion.
  • SQEM demonstrates superior accuracy over RCCE for H2/air combustion with the same number of variables.

Conclusions:

  • SQEM is a validated and accurate model reduction technique for chemical kinetics.
  • SQEM effectively simplifies complex combustion mechanisms.
  • SQEM offers advantages in accuracy compared to RCCE for reduced-order modeling.