Entropy Green

FIGURE 7.17 (a) In an exothermic process, heat escapes into the surroundings and increases their entropy, (b) In an endothermic process, the entropy of the surroundings decreases. The red arrows represent the transfer of heat between system and surroundings, and the green arrows indicate the entropy change of the surroundings. 

Ferrige, A.G., Seddon, M.J., Green, B.N., Jarvis, S.A., Skilling, J. (1992a). Disentangling electrospray spectra with maximum entropy. Rapid Commun. Mass Spectrom. 6, 707-711. 

Green B.N., Hutton T., and Vinogradov S.N. (1996), Analysis of complex protein and glycoprotein mixtures by electrospray ionization mass spectrometry with maximum entropy processing, Method. Mol. Biol. 61, 279-294. 

Hauser, S.L., Johanson, E.W., Green, H.P., Smith, P.J. (2000) Aryl phosphate complexation by cationic cyclodextrins An enthalpic advantage of guanidinium over ammonium and unusual enthalpy-entropy compensation, Org.Lett. 2, 3575-3578 ... 

Therein, Cs = FsFj and Jl,g = detFL, g are the right Cauchy-Green deformation tensor of the solid and the Jacobian of the gas and liquid phases respectively, where Fa denotes the deformation gradient of free energies and the specific entropies of the constituents [Pg.333]

But, when the starting material has more substituents, it starts off with less entropy anyway. More substituents mean that some conformations are no longer accessible to the starting material—the green arcs below show how the methyl groups hinder rotation of the N and Br substituents into that region of space. 

The thermodynamic functions reported here agree with those of Green et al. (6), Hilsenrath et al. (7), and Gurvich et al. (8) except for one or two minor differences. First, the entropy differs by 0.1094 J K mol because this table uses a standard-state pressure of 1 bar, whereas the cited references used a pressure of 1 atm. Second, smaller differences arise from the use of... 

Many investigations have shown that furanosides are hydrolyzed faster than pyranosides, and acid-catalyzed hydrolysis of furanosides has been discussed in detail by Green. Additional discussion is given in Section III,la. Overend and coworkers have determined the entropy of activation for one furanoside, ethyl 3-D-galactofuranoside, and found it to be... 

Green and sumathi have reported values for the C/CD2/C/H group [132] as derived from G2 calculation on (CH2=CH)2CHCH2CH3. The enthalpy they estimated for this group is found to be -1.10 kcal mol which is in good agreement with our value, -1.52 kcal mof The entropy and heat capacity differences between the two studies are about 3.4 and 0.65 cal mol K respectively. The thermodynamic values of Green and Sumathi are listed in Table 4.7 for comparison with our calculated values. 

The first method deseribes the calculation of entropy from the structural order. As we have discussed earlier in this chapter, the more ordered the system is, the less is the entropy. This order of the system can be calculated from the MD simulation by caleulating the n-particle correlation function. According to Green s concept the total entropy of a system can be written as a sum of two entropy terms. One of them is the ideal gas entropy term and the other is termed the excess entropy term. The first is quite trivial as the ideal gas entropy is known for a state point. The exeess entropy of the system again can be written as the contribution from the n-partiele n = 2, 3,. .. N) entropy term which can be determined from the -partiele eorrelation in the liquid stmcture. The calculation of the n-particle correlation funetion for > 2 is almost impossible and thus only the contribution for n = 2 (pair correlation function as input, by using the following expression [11],... 

Evershed, R. P., Robertson, D. H. L., Beynon, R. P. and Green, B. N. 1993. Application of electrospray ionization mass spectrometry with Maximum Entropy analysis to allelic fingerprinting of major urinary proteins. Rap. Comm. Mass Spec., 1, 882-886. 

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