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In chemistry, a water cluster is a discrete hydrogen bonded assembly or cluster of molecules of water. [ 1 ] [ 2 ] Many such clusters have been predicted by theoretical models ( in silico ), and some have been detected experimentally in various contexts such as ice , bulk liquid water, in the gas phase , in dilute mixtures with non-polar ...
In general, MO theory can accurately predict the ground state energy of the system, the different electronic states energies of bonding and nonbonding orbitals, and magnetic and ionization properties in a straight forward manner. On the other hand, VB theory is traditionally useful for predicting bond angle and mechanism drawing.
They can be used to calculate mixed ion activity coefficients and water activities in solutions of high ionic strength for which the Debye–Hückel theory is no longer adequate. They are more rigorous than the equations of specific ion interaction theory (SIT theory), but Pitzer parameters are more difficult to determine experimentally than ...
Water (H 2 O) is a polar inorganic compound that is at room temperature a tasteless and odorless liquid, which is nearly colorless apart from an inherent hint of blue.It is by far the most studied chemical compound [20] and is described as the "universal solvent" [21] and the "solvent of life". [22]
Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular orbitals, orbital interactions, and molecule activation.
A typical phase diagram.The solid green line applies to most substances; the dashed green line gives the anomalous behavior of water. In thermodynamics, the triple point of a substance is the temperature and pressure at which the three phases (gas, liquid, and solid) of that substance coexist in thermodynamic equilibrium. [1]
The technique is closely related to using gas adsorption to measure pore sizes, but uses the Gibbs–Thomson equation rather than the Kelvin equation.They are both particular cases of the Gibbs Equations of Josiah Willard Gibbs: the Kelvin equation is the constant temperature case, and the Gibbs–Thomson equation is the constant pressure case. [1]
The self-diffusion coefficient of neat water is: 2.299·10 −9 m 2 ·s −1 at 25 °C and 1.261·10 −9 m 2 ·s −1 at 4 °C. [2] Chemical diffusion occurs in a presence of concentration (or chemical potential) gradient and it results in net transport of mass. This is the process described by the diffusion equation.