On Tests Under Order Restrictions in Reduction of Dimensionality

Author(s):  
Ashis SenGupta
1990 ◽  
Vol 55 (6) ◽  
pp. 1427-1434 ◽  
Author(s):  
František Pavelčík ◽  
Eva Luptáková

The conformational surface of the Co(en) chelate ring was studied by the method of structural correlation. The reduction of dimensionality of the conformation problem was achieved by employing the pseudorotation concept. The empirical potential surface was obtained by statistical treatment of 743 independent conformations from the Cambridge Structural Database. The theoretical potential surface was obtained by molecular mechanics. The minimal-energy conformation is gauche with the Co atom on the two-fold axis. Conformational flexibility also includes an envelope conformation with the N atom bent out of the plane. The transition between the mirror-image symmetrical conformations can occur by a pseudorotation pathway and is accompanied by increased planarity of the ring. The transition state is an envelope conformation with an out-plane Co atom.


1996 ◽  
Vol 23 (5) ◽  
pp. 507-514 ◽  
Author(s):  
Hammou El Barmi ◽  
Ian R. Harris ◽  
Ayanendranath Basu

2015 ◽  
Vol 10 (3) ◽  
pp. 147-159 ◽  
Author(s):  
Magne Hillestad

Abstract The main purpose of this paper is to provide a framework to model a consistent product distribution from the Fischer–Tropsch synthesis. We assume the products follow the Anderson–Schulz–Flory distribution and that there is no chain limitation. Deviation from the ASF distribution is taken into account. In order to implement such a model it is necessary to aggregate reactions into a finite number of reactions and to group components into lumps of components. Here, the component distribution within each lump is described by three parameters, and it is shown how these parameters are modeled. The method gives a considerable reduction of dimensionality and it is demonstrated that the component distribution within the lumps can be reconstructed with accuracy.


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