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Entropy and Solvation02:05

Entropy and Solvation

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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...
8.3K
Entropy02:39

Entropy

35.3K
Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
35.3K
Entropy01:18

Entropy

3.5K
The first law of thermodynamics is quantitatively formulated via an equation relating the internal energy of a system, the heat exchanged by it, and the work done on it. A quantitative formulation of the second law of thermodynamics leads to defining a state function, the entropy.
When an ideal gas expands isothermally, the disorder in the gas increases. From the molecular perspective, the gas molecules have more volume to move around in.
Consider an infinitesimal step in the expansion, which...
3.5K
Standard Entropy Change for a Reaction03:00

Standard Entropy Change for a Reaction

24.1K
Entropy is a state function, so the standard entropy change for a chemical reaction (ΔS°rxn) can be calculated from the difference in standard entropy between the products and the reactants.
24.1K
Solvating Effects02:12

Solvating Effects

8.5K
An understanding of the solvating effect helps rationalize the relation between solvation and acidity of the compound. In addition, this also explains the relative stability of conjugate bases for compounds with different pKa values. This lesson details, in-depth, the principle of solvating effects. The strength of an acid and the stability of its corresponding conjugate base are determined using pKa values. This observed relationship is a consequence of solvation, which is the interaction...
8.5K
Entropy within the Cell01:22

Entropy within the Cell

12.8K
A living cell's primary tasks of obtaining, transforming, and using energy to do work may seem simple. However, the second law of thermodynamics explains why these tasks are harder than they appear. None of the energy transfers in the universe are completely efficient. In every energy transfer, some amount of energy is lost in a form that is unusable. In most cases, this form is heat energy. Thermodynamically, heat energy is defined as the energy transferred from one system to another that...
12.8K

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Related Experiment Video

Updated: Jan 27, 2026

Total Internal Reflection Absorption Spectroscopy TIRAS for the Detection of Solvated Electrons at a Plasma-liquid Interface
08:50

Total Internal Reflection Absorption Spectroscopy TIRAS for the Detection of Solvated Electrons at a Plasma-liquid Interface

Published on: January 24, 2018

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Solvation Entropy Made Simple.

Alejandro J Garza1

  • 1The Dow Chemical Company , 1776 Building , Midland , Michigan 48674 , United States.

Journal of Chemical Theory and Computation
|March 27, 2019
PubMed
Summary

New models accurately calculate molecular solvation entropy, improving predictions for reactions in solution. These computationally efficient methods offer a more reliable approach than gas-phase calculations, especially for processes changing molecularity.

Area of Science:

  • Computational chemistry
  • Physical chemistry
  • Thermodynamics

Background:

  • Molecular entropies in solution are often approximated using gas-phase formulas.
  • Implicit solvation models, while fitted for free energies, can exaggerate entropic effects in reactions altering molecularity.

Purpose of the Study:

  • To develop computationally efficient approximations for solvation entropy.
  • To address the overestimation of entropic effects in reactions changing molecularity.

Main Methods:

  • Proposed Sω, Sϵ, and Sϵα models based on physical arguments and medium properties (density, relative permittivity).
  • Nonempirical models with computational costs similar to gas-phase entropy calculations.

Main Results:

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Applications of EEG Neuroimaging Data: Event-related Potentials, Spectral Power, and Multiscale Entropy
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Applications of EEG Neuroimaging Data: Event-related Potentials, Spectral Power, and Multiscale Entropy

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Material Formation of Recombinant Spider Silks through Aqueous Solvation using Heat and Pressure
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Material Formation of Recombinant Spider Silks through Aqueous Solvation using Heat and Pressure

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Last Updated: Jan 27, 2026

Total Internal Reflection Absorption Spectroscopy TIRAS for the Detection of Solvated Electrons at a Plasma-liquid Interface
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Total Internal Reflection Absorption Spectroscopy TIRAS for the Detection of Solvated Electrons at a Plasma-liquid Interface

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Applications of EEG Neuroimaging Data: Event-related Potentials, Spectral Power, and Multiscale Entropy
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Material Formation of Recombinant Spider Silks through Aqueous Solvation using Heat and Pressure
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Material Formation of Recombinant Spider Silks through Aqueous Solvation using Heat and Pressure

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  • Average errors within chemical accuracy compared to experimental data for solvation entropies, activation entropies in solution, and vaporization enthalpies.
  • Accurate predictions for microscopic and bulk liquid properties.

Conclusions:

  • The proposed models offer a reliable and efficient way to determine solvation entropy.
  • ΔHsol and ΔSsol can be described separately, reducing reliance on parametrization when combined with existing implicit solvation models.