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Related Concept Videos

Solubility03:00

Solubility

Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules, atoms, and/or ions)...
Chemical and Solubility Equilibria02:21

Chemical and Solubility Equilibria

The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if  ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place, the Gibbs energy change must be...
Solubility Equilibria03:07

Solubility Equilibria

Solubility equilibria are established when the dissolution and precipitation of a solute species occur at equal rates. These equilibria underlie many natural and technological processes, ranging from tooth decay to water purification. An understanding of the factors affecting compound solubility is, therefore, essential to the effective management of these processes. This section applies previously introduced equilibrium concepts and tools to systems involving dissolution and precipitation.
The...
Entropy and Solvation02:05

Entropy and Solvation

The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ ≥ 15); an...
Solubility Equilibria: Overview01:09

Solubility Equilibria: Overview

When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
Solubility is important in biological and environmental processes. A notable...
Silica Gel Column Chromatography: Overview01:10

Silica Gel Column Chromatography: Overview

Silica gel column chromatography is a technique for separating compounds using a column packed with silica gel as the stationary phase. This method relies on differences in the polarity of compounds. Based on their polarities, compounds move between the stationary phase (silica gel) and the mobile phase (the solvent), forming discrete bands in the column.
Polar components tend to bind strongly to the silica gel, causing them to move slowly through the column. In contrast, nonpolar compounds...

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Preparation of Functional Silica Using a Bioinspired Method
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Preparation of Functional Silica Using a Bioinspired Method

Published on: August 1, 2018

Modeling solvation on the chemically modified silica surfaces.

Bogusław Buszewski1, Szymon Bocian, Alicja Nowaczyk

  • 1Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, Torun, Poland. bbusz@chem.uni.torun.pl

Journal of Separation Science
|June 24, 2010
PubMed
Summary

Computer simulations reveal how acetonitrile and water interact with octadecyl stationary phases in reversed-phase high-performance liquid chromatography (RP-HPLC). This study enhances understanding of RP-HPLC retention mechanisms at the molecular level.

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Area of Science:

  • Analytical Chemistry
  • Chromatography
  • Computational Chemistry

Background:

  • Understanding the retention mechanism in reversed-phase high-performance liquid chromatography (RP-HPLC) is crucial for analytical chemists.
  • The interaction between mobile phase solvents and the octadecyl stationary phase influences chromatographic separation.
  • Investigating solvent adsorption at the molecular level provides insights into RP-HPLC behavior.

Purpose of the Study:

  • To provide a detailed molecular-level description of the retention mechanism in RP-HPLC.
  • To investigate the preferential adsorption of solvents on an octadecyl stationary-bonded phase.
  • To model solvent adsorption using varying densities of organic ligands on a silica surface.

Main Methods:

  • Computer simulations were employed to model solvent adsorption on silica surfaces functionalized with varying numbers of octadecyl ligands (one, two, three, and four).
  • The simulations focused on the acetonitrile-water mobile phase and its interaction with the stationary phase.
  • The study modeled non-end-capped bonded phases with different bonded ligand coverages.

Main Results:

  • Computer simulations showed an increase in adsorbed acetonitrile around the bonded ligands.
  • The simulations also indicated the presence of water molecules near the modeled silica surface.
  • These simulation results align with experimental measurements of acetonitrile excess adsorption isotherms.

Conclusions:

  • The study successfully modeled solvent adsorption on octadecyl stationary phases, elucidating molecular-level interactions.
  • Findings provide a deeper understanding of the retention mechanisms governing RP-HPLC separations.
  • The simulation approach is validated by its agreement with experimental adsorption data.