Gani method

The basic GC-model of the Constantinou and Gani method (Eq. 1) as presented above provides the basis for the formulation of the solvent replacement problem as a MILP-optimization problem. For purposes of simplicity, in this chapter, only the first-order approximation is taken into consideration (that is, W is equal to zero). In this way, the functions of the target properties of the generated molecules (solvent replacements) are written as monotonic functions of the property values, thereby, leading to a linear right hand side of the property constraints (property model equation), as follows,... 

Estimated with Aspen Plus by a) Joback and b) Gani methods c) experimental value. 

Gani" derived a group contribution method that shows promise. Initial evaluations show average errors of 5 to 10 percent (10-30 K) on a wide variety of compounds, but larger errors can occur. It is recommended that severaf compounds of Known melting point in the same or a similar family be predic ted in order to estimate the probable error. 

Gani, R., Jimenez-Gonzalez, C., Constable, D.J.C. (2005) Method for Selection of Solvents for Promotion of Organic Reactions. Computers and Chemical Engineering, 29, 1661-1676. 

Gani, R. (2004) Computer aided methods and tools for chemical product design, Chemical Engineering Research and Design, 82 (All), 1494-1504. 

The predicted values in Table 3 were calculated using the group contribution based method of J. Marrero and R. Gani using the ProPred component of the ICAS toolbox [31]. 

Constantinou, L., R. Gani, and J. P. O Connell, "Estimation of the acentric factor and the liquid molar volume at 298K through a new group contribution method". Fluid Phase Equilibria 103, 11, (1995). 

Here H 8 and F2 8 can be estimated using the Constantinou-Gani group contribution method (Constantinou and Gani, 1994). 

Constantinou, L., Gani, R., (1994). New Group-contribution method for estimating properties of pure compounds. AIChE J., 40(10), 1697-1710. 

D. Stones, D. J. Miller, M. W. Beaton, T. J. Rutherford and D. Gani, A method for the quantification of resin loading using 19F gel phase NMR spectroscopy and a new method for benzyl ether linker cleavage in solid phase chemistry, Tet. Lett, 1998, 39, 4875 1878. 

Independently Allegra, Corradini and Ganis (2, 28) found the same results by applying the Gibbs and Di Marzio method of calculation (40) they concluded that no sharp transition from the helix to the random coil conformation should occur in poly-a-olefins. 

Method of Constantinou and Qani The approach of Constantinou and Gani [22] has been described for Tb in Section 9.3. The analog model for AHv at 25°C is ... 

Constantinou, L., and R. Gani, New Group Contribution Method for Estimating Properties of Pure Compounds. AIChE J., 1994 40, 1697-1710. 

VL(L) E measurements for binaries involving water with alcohol and acid have been done, as described elsewhere [2]. Figure 8.6 presents experimental vapor pressure data for 2-ethylhexyl laurate. The normal boiling point (nbp) is 607.6 K, close to the prediction by Gani s method. On the other hand, the prediction of the whole saturation curve by Riedel s method (noted estimation in Figure 8.6) is in large error at lower pressures. This fact can affect the accuracy of chemical equilibrium calculation, but fortunately the errors compensate each other [2]. 

Figure 8.6 Vapor pressure of 2-ethylhexyl laurate the estimation by Riedel method makes use of the nbp (Gani) experimental data are based on measurements from 450 to 530 K and boiling temperature at normal pressure.

---