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Adsorption of Gases on Solids01:28

Adsorption of Gases on Solids

210
Adsorption is a process where molecules, known as the adsorbates, accumulate on a surface, which is referred to as the adsorbent or substrate. Occurring at the solid-gas interface, this phenomenon is crucial in various scientific and industrial contexts. The reverse of adsorption is desorption.Two types of adsorptions exist: physical (physisorption) and chemical (chemisorption). Physisorption involves gas molecules held to the solid's surface by relatively weak intermolecular van der Waals...
210
Adsorption Isotherms II01:25

Adsorption Isotherms II

104
Brunauer, Emmett, and Teller (BET) introduced a theory in 1938 that modified Langmuir's assumptions to explain multilayer physical adsorption. This theory is applicable to Type II isotherms and provides a more realistic picture of adsorption processes. The BET theory assumes a uniform solid surface with localized adsorption sites, where adsorption at one site doesn't affect adsorption at neighboring sites. This theory also allows for the possibility of additional molecules being adsorbed on top...
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Adsorption Isotherms I01:29

Adsorption Isotherms I

156
Adsorption isotherms are mathematical models that describe how molecules in a gas or liquid phase interact with surfaces. Two of the most common isotherm models are the Langmuir and Freundlich isotherms, which relate to Type I monolayer chemisorption. The Langmuir model is based on four key assumptions:• Adsorption cannot exceed monolayer coverage.• All surface sites are equivalent.• Molecules adsorb only at vacant sites.• There are no interactions between adsorbed...
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Molecular Comparison of Gases, Liquids, and Solids02:26

Molecular Comparison of Gases, Liquids, and Solids

58.3K
Particles in a solid are tightly packed together (fixed shape) and often arranged in a regular pattern; in a liquid, they are close together with no regular arrangement (no fixed shape); in a gas, they are far apart with no regular arrangement (no fixed shape). Particles in a solid vibrate about fixed positions (cannot flow) and do not generally move in relation to one another; in a liquid, they move past each other (can flow) but remain in essentially constant contact; in a gas, they move...
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Gas Solubility01:31

Gas Solubility

100
Gas solubility in liquids forms liquid-gas solutions, such as soft drinks, where carbon dioxide is dissolved in water, and the ocean, where the solubility of oxygen and carbon dioxide supports marine life. The ability of oceans to dissolve gases impacts weather conditions in the troposphere.However, gas-liquid interactions vary. For instance, hydrogen chloride gas is highly soluble in water, while oxygen's solubility is much lower. Because these solutions are non-ideal, Raoult’s law,...
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Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation04:01

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

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Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.
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Related Experiment Video

Updated: Apr 1, 2026

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
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In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

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Gas sorption in solid surfaces: a computational study using rigid and Einstein-solid models.

Mayra Lara-Peña1, Hector Domínguez

  • 1Posgrado en Ciencias Físicas, Universidad Nacional Autónoma de México, México, D.F. 04510, Mexico.

Physical Chemistry Chemical Physics : PCCP
|October 6, 2015
PubMed
Summary

The reactive Monte Carlo (RxMC) method simulates gas sorption in solids, revealing enhanced chemisorption with vibrating particles. This model helps explain complex reactions like CO2 capture by Li2O.

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Area of Science:

  • Materials Science
  • Chemical Engineering
  • Computational Chemistry

Background:

  • Gas sorption in solids is crucial for applications like carbon capture and storage.
  • Understanding the interplay between physical and chemical adsorption mechanisms is complex.
  • Previous models often simplified the solid-state dynamics during sorption.

Purpose of the Study:

  • To introduce and validate the reactive Monte Carlo (RxMC) method for simulating gas-solid reactions.
  • To investigate the influence of solid particle dynamics on gas sorption.
  • To model chemisorption and physisorption phenomena in reactive systems.

Main Methods:

  • Developed two simulation models: rigid particles and vibrating Einstein solid.
  • Employed the reactive Monte Carlo (RxMC) method to simulate gas-solid reactions (A + B ⇌ C).
  • Analyzed sorption curves under varying spring constants and temperatures.

Main Results:

  • Both rigid and vibrating solid models exhibited physisorption and chemisorption.
  • The Einstein solid model consistently enhanced overall sorption.
  • An inverse relationship between spring constant and temperature was observed for sorption.

Conclusions:

  • The RxMC method with an Einstein solid model accurately describes gas sorption involving chemical reactions.
  • Vibrational dynamics of the solid significantly impact sorption behavior.
  • This approach provides a framework for understanding complex experimental sorption phenomena, such as CO2 capture by metal oxides.