Potential energy maximum

Because of tire exponential tenn, IV is mainly detennined by tire potential energy maximum and it can be approximated as [57]... 

Characterize a potential energy maximum along the reaction coordinate, fransition state searching results in a new structure. You can exam in e the atom ic coordin ates and en ergy of th is structure. 

What is the maximum potential energy of the N—N system as defined ... 

Figure 3 7 illustrates the potential energy relationships among the various confer matrons of butane The staggered conformations are more stable than the eclipsed At any instant almost all the molecules exist m staggered conformations and more are present m the anti conformation than m the gauche The point of maximum potential... 

A potential energy diagram for nng inversion m cyclohexane is shown m Figure 3 18 In the first step the chair conformation is converted to a skew boat which then proceeds to the inverted chair m the second step The skew boat conformation is an inter mediate in the process of ring inversion Unlike a transition state an intermediate is not a potential energy maximum but is a local minimum on the potential energy profile... 

Potential energy diagram (Section 4 8) Plot of potential en ergy versus some arbitrary measure of the degree to which a reaction has proceeded (the reaction coordinate) The point of maximum potential energy is the transition state Primary alkyl group (Section 2 13) Structural unit of the type RCH2— in which the point of attachment is to a pnmary carbon... 

This energy maximum is calculated from the electric surface potential. An approximation of this surface potential is the zeta potential, which is experimentally deterrnined with commercial instmments. For o/w emulsions with low electrolyte content in the aqueous phase, a zeta potential of 40 mV is sufficient to bring the energy maximum to this level. 

Such diagrams make clear the difference between an intermediate and a transition state. An intermediate lies in a depression on the potential energy curve. Thus, it will have a finite lifetime. The actual lifetime will depend on the depth of the depression. A shallow depression implies a low activation energy for the subsequent step, and therefore a short lifetime. The deeper the depression, the longer is the lifetime of the intermediate. The situation at a transition state is quite different. It has only fleeting existence and represents an energy maximum on the reaction path. 

To express the maximum potential explosive power of a fuel, a safe and conservative value for TNT equivalencies of vapor cloud explosions was estimated from literature data on major incidents, after correction for virtual distance. Prugh (1987) concluded that the maximum energy-based TNT equivalency is highly depen-... 

Sketch a potential energy diagram for rotation around a carbon-carbon bond in propane. Clearly identify each potential energy maximum and minimum with a structural formula that shows the conformation of propane at that point. Does your diagram more closely resemble that of ethane or of butane Would you expect the activation energy for bond rotation in propane to be more than or less than that of ethane Of butane ... 

Figure 5-3 is the reaction coordinate diagram for Fig. 5-2. Note the region of the maximum potential energy on the reaction coordinate this region assumes great importance in kinetic theory. At this point the reacting system is unstable with respect to motion along the reaction coordinate. However, at this same point the system possesses minimum energy with respect to motion along dashed line cd. This portion of the reaction coordinate is called the transition state of the reaction. (This concept was introduced in Fig. 1-1.)...

Transition State Geometry. The geometry corresponding to a Stationary Point on the Potential Energy Surface which is an energy minimum in all directions except one (the Reaction Coordinate), for which it is an energy maximum. 

Figure 3.9 A plot of potential energy versus rotation for the C2-C3 bond in butane. The energy maximum occurs when the two methyl groups eclipse each other, and the energy minimum occurs when the two methyl groups are 180° apart (anti. ...

The maximum potential power of an explosive can be calculated, or it can be measured by techniques such as those developed by Cook. A typical method consists of firing the explosive under water and measuring the energy liberated in the various forms, such as shock wave in the water, the work of expansion of the gas bubble, etc. These figures have limited practical value as the methods of application of explosives are of low and variable efficiency. A more practical measurement of strength can be obtained by the measurement of cratering efficiency. This, again, demands considerable expense and also requires the availability of uniform rock. 

There are unusual hazards associated with partial desolvation of crystalline solvated oxosalts, notably perchlorates. This may be because desolvation causes the oxygen balance to approach the zero balance point and maximum energy release potential. A similar effect has also been seen with an hydrated salt. 

A possible explanation of the reduced stability of the lower organic solvates may be connected with the effect of reduced solvation upon the oxygen balance of the salts. Uncolvated metal perchlorates have an apparent balance of +700%, and solvation with 4 mols of acetonitrile reduces this to -46.3%, and with 4 or 6 mols of DMSO to —43% and —28.6% respectively. Desolvation to 2.18 mols of acetonitrile, or to 2.0 mols of DMSO, would give products of zero oxygen balance, with maximum energy release potential [8],... 

In a redox reaction, the energy released in a reaction due to movement of charged particles gives rise to a potential difference. The maximum potential difference is called the electromotive force (FMF), E, and the maximum electric work, W, is the product of charge q in Coulombs (C), and the potential NE in volts or FMF ... 

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