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In section 5.5.5 of his book, Allen [4] compares the reaction field with other methods, focusing on the simulation of the Stockmayer system (the simplest model for a dipolar fluid, such as water). The work of Adams, et al. (1979) showed that the reaction field produces results with thermodynamic quantities (volume, pressure and temperature ...
Interaction energy of an argon dimer.The long-range section is due to London dispersion forces. London dispersion forces (LDF, also known as dispersion forces, London forces, instantaneous dipole–induced dipole forces, fluctuating induced dipole bonds [1] or loosely as van der Waals forces) are a type of intermolecular force acting between atoms and molecules that are normally electrically ...
The polarizability of an atom or molecule is defined as the ratio of its induced dipole moment to the local electric field; in a crystalline solid, one considers the dipole moment per unit cell. [1] Note that the local electric field seen by a molecule is generally different from the macroscopic electric field that would be measured externally.
where μ is the electric dipole moment of the effectively polarized water molecule (2.35 D for the SPC/E model), μ 0 is the dipole moment of an isolated water molecule (1.85 D from experiment), and α i is an isotropic polarizability constant, with a value of 1.608 × 10 −40 F·m 2. Since the charges in the model are constant, this ...
Hydrogen-bonding-in-water. A hydrogen bond (H-bond), is a specific type of interaction that involves dipole–dipole attraction between a partially positive hydrogen atom and a highly electronegative, partially negative oxygen, nitrogen, sulfur, or fluorine atom (not covalently bound to said hydrogen atom).
The size of the induced dipole moment is equal to the product of the strength of the external field and the dipole polarizability of ρ. Dipole moment values can be obtained from measurement of the dielectric constant. Some typical gas phase values given with the unit debye are: [7] carbon dioxide: 0; carbon monoxide: 0.112 D; ozone: 0.53 D
The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system: that is, a measure of the system's overall polarity. ...
For example, the water molecule H 2 O has an electronegative oxygen atom that attracts a negative charge. This is indicated by δ-in the water molecule in the vicinity of the O atom, as well as by a δ + next to each of the two H atoms. The vector addition of the individual bond dipole moments results in a net dipole moment for the molecule. A ...