Entropic factor calculation

This reasoning is based on faith in experimental data. This is justified by the values resulting from j rule 7, which give a remarkable consistency in the entropic factor calculated by using equation 2 (respectively 6.392 6.347 and 6.334 at 20. 30 and 50°C). These results show that S > So is most often verified in the series considered, as shown in the ... 

These unsatisfactory (easily replicated) results have led to a search for other approaches to the calculation of the entropic factor. 

II and II, are estimated degrees only there is no experimental value involved except for AIT and calculation of the entropic factor from equation (1) by Hass. The process is indicated in the chart below ... 

The enthalpy of formation of the substance that is obtained is for the gaseous state. The enthalpy that corresponds to the gas -> liquid change of state therefore needs to be added. The enthalpy corresponding to the liquid solid change is to be ignored if the enthalpy of formation of a substance in the solid state is required, since there is not much difference between the two. For the enthalpy of formation in the liquid state the enthalpy of condensation is calculated from the equation that bonds it to the entropic factor discussed in Chapter 1, ie ... 

To conclude, a related thermodynamic treatment has been extended to the calculation of the enthalpic variation for redox couples, AH°C = H°ed - if°x. Such a treatment is useful to understand how enthalpic or entropic factors may influence the magnitude and sign of the free energy, or the electrode potential, of a redox change.20 In fact, one must consider that ... 

Entropic factors are a major problem for relatively large molecules. For organic macromolecules, the simulation of the probability W(S=k-In (W)) by molecular dynamics calculations or Monte Carlo simulations, has been used to calculate the entropy from fluctuations of the internal coordinates189"921. For simple coordination compounds the corrections based on calculated entropy differences are often negligible in comparison with the accuracy of the calculated enthalpies116,63,881. Therefore, the relatively easily available statistical term (Sstat) is usually the only one that is included in the computation of conformational equilibria (see Chapters 7 and 8). 

Analysis of the results of calculations for the change in type I vibrahons (AG() suggests that this factor is enthalpically unfavourable but entropically favourable [107, 114], which can be interpreted in terms of formahon of new vibrational degrees of freedom. In total the entropic factor overwhelms and type I vibrahons appear to favour complex formation for the ligands studied. 

Generally, enthalpic contributions favor the dilution of the salt and poly(ethylene oxide) to give a single phase. The entropic factors can be calculated using the following expression for each phase ... 

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