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The production of acetone by acetoacetate decarboxylase-containing or clostridial bacteria was utilized in large-scale industrial syntheses in the first half of the twentieth century. In the 1960s, the industry replaced this process with less expensive, more efficient chemical syntheses of acetone from petroleum and petroleum derivatives. [ 6 ]
Thus, a PES can be drawn mapping the potential energy E of a water molecule as a function of two geometric parameters, q 1 = O–H bond length and q 2 = H–O–H bond angle. The lowest point on such a PES will define the equilibrium structure of a water molecule. Figure 3: PES for water molecule:
In electromagnetism, Isopotential maps are a measure of electrostatic potential in space. The spatial derivatives of an electrostatic field indicate the contours of the electrostatic field, so isopotential maps show where another charged molecule might interact, using equipotential lines (isopotentials).
μ i is the electrochemical potential of species i, in J/mol, μ i is the chemical potential of the species i, in J/mol, z i is the valency (charge) of the ion i, a dimensionless integer, F is the Faraday constant, in C/mol, Φ is the local electrostatic potential in V. In the special case of an uncharged atom, z i = 0, and so μ i = μ i.
Composite surfaces (maps): Electrostatic potential map (electrophilic indicator) – The most commonly employed property map is the electrostatic potential map. This gives the potential at locations on a particular surface, most commonly a surface of electron density corresponding to overall molecular size. [71]
Most of the worldwide production of phenol and acetone is now based on this method. In 2022, nearly 10.8 million tonnes of phenol was produced by the cumene process. [4] In order for this process to be economical, there must also be demand for the acetone by-product as well as the phenol. [5]
The Poisson–Boltzmann equation can be applied to biomolecular systems. One example is the binding of electrolytes to biomolecules in a solution. This process is dependent upon the electrostatic field generated by the molecule, the electrostatic potential on the surface of the molecule, as well as the electrostatic free energy. [13]
The electrostatic potential energy U E stored in a system of two charges is equal to the electrostatic potential energy of a charge in the electrostatic potential generated by the other. That is to say, if charge q 1 generates an electrostatic potential V 1 , which is a function of position r , then U E = q 2 V 1 ( r 2 ) . {\displaystyle U ...