Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Molecular Models02:00

Molecular Models

40.9K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
40.9K
Atomic Absorption Spectroscopy: Interference01:25

Atomic Absorption Spectroscopy: Interference

1.1K
Interference leads to systematic error in atomic absorption (AA) measurements by enhancing or diminishing the analytical signal or the background. These interferences can be grouped into three main categories: spectral interference, chemical interference, and physical interference.
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...
1.1K
Intermolecular Forces and Physical Properties02:56

Intermolecular Forces and Physical Properties

23.0K
23.0K
Atomic Absorption Spectroscopy: Atomization Methods01:25

Atomic Absorption Spectroscopy: Atomization Methods

688
Atomic Absorption Spectroscopy (AAS) atomizes samples through flame atomization or electrothermal atomization. Flame atomization typically involves a nebulizer and spray chamber assembly to combine the sample with a fuel–oxidant mixture, creating a fine aerosol mist that enters a burner. Typically, the fuel and oxidant are combined in an approximately stoichiometric ratio. However, for atoms that are easily oxidized, a fuel-rich mixture may be more advantageous. Only about 5% of the...
688

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

A Fully ab Initio Kinetic Monte Carlo Approach for Modeling Adsorption and Diffusion in Interstellar Icy Grain Mantles: The Case of H<sub>2</sub>S.

ACS earth & space chemistry·2026
Same author

Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN.

ACS earth & space chemistry·2025
Same author

Atomistic Modeling of Methyl Formate and Glycolaldehyde Formation on Interstellar Dirty Ice Mantles via a "Radical + Ice" Mechanism.

ChemPlusChem·2025
Same author

The role of the pre-exponential factor on temperature programmed desorption spectra: A computational study of frozen species on interstellar icy grain mantles.

The Journal of chemical physics·2025
Same author

Revealing SO<sub>2</sub> and CO<sub>2</sub> adsorption features on forsterite <i>via</i> IR spectroscopy and automated computational approaches.

Physical chemistry chemical physics : PCCP·2025
Same author

Hot Sulfur on the Rocks: The Reaction of Electronically Excited Sulfur Atoms with Water in an Ice-Surface Model.

ACS earth & space chemistry·2025

Related Experiment Video

Updated: Sep 21, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.3K

Computer Generated Realistic Interstellar Icy Grain Models: Physicochemical Properties and Interaction with NH3.

Aurèle Germain1, Lorenzo Tinacci1,2, Stefano Pantaleone3

  • 1Dipartimento di Chimica, Università degli Studi di Torino, via P. Giuria 7, 10125, Torino, Italy.

ACS Earth & Space Chemistry
|May 27, 2022
PubMed
Summary

A new computational method, ACO-FROST, models large interstellar icy grains to study molecular adsorption. This approach captures diverse binding energies, crucial for understanding complex organic molecule formation in space.

More Related Videos

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
08:01

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization

Published on: August 18, 2022

3.2K
An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

8.6K

Related Experiment Videos

Last Updated: Sep 21, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.3K
A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
08:01

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization

Published on: August 18, 2022

3.2K
An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

8.6K

Area of Science:

  • Astrochemistry and Computational Astrophysics
  • Materials Science of Ices
  • Quantum Chemistry

Background:

  • Interstellar grains, essential for forming complex organic molecules (iCOMs), consist of silicate cores with icy mantles (H2O, CO, CO2, NH3).
  • Existing models lack systematic studies on crucial grain properties like H-bonds, radial distribution, and surface electrostatics.
  • Understanding these properties is vital for accurately modeling chemical evolution in dense molecular clouds.

Purpose of the Study:

  • To develop a computational procedure (ACO-FROST) for building large, realistic amorphous ice structures mimicking interstellar grains.
  • To enable systematic studies of adsorption properties on various sites of these icy grain models.
  • To provide statistically meaningful physicochemical data for astrochemical numerical models.

Main Methods:

  • Utilized the semiempirical GFN2 tight-binding quantum mechanical method and the GFN-FF force field for accurate and cost-effective simulations.
  • Developed the ACO-FROST program to construct large-scale amorphous ice structures, tunable for different compositions (e.g., dirty icy grains).
  • Calculated adsorption features including binding energy, and vibrational frequencies for species on the simulated grain surfaces.

Main Results:

  • Successfully generated large amorphous ice structures with a favorable accuracy/cost ratio, suitable for studying noncovalent interactions.
  • Demonstrated the ability to model 'dirty' icy grains with varying compositions.
  • Computed the binding energy of ammonia on the icy grain surface, revealing a broad distribution not captured by smaller models.

Conclusions:

  • ACO-FROST provides a robust method for creating realistic interstellar icy grain models, enabling detailed adsorption studies.
  • The method yields statistically significant data on adsorption properties, improving astrochemical models.
  • This work lays the foundation for more rigorous QM:MM treatments to achieve chemical accuracy in binding energy calculations.