Evaluation of the Nonrandom Hydrogen Bonding (NRHB) Theory and the Simplified Perturbed-Chain−Statistical Associating Fluid Theory (sPC-SAFT). 2. Liquid−Liquid Equilibria and Prediction of Monomer Fraction in Hydrogen Bonding Systems

2008 ◽  
Vol 47 (15) ◽  
pp. 5651-5659 ◽  
Author(s):  
Ioannis Tsivintzelis ◽  
Andreas Grenner ◽  
Ioannis G. Economou ◽  
Georgios M. Kontogeorgis
Keyword(s):  
Hydrogen Bonding ◽  
Statistical Associating Fluid Theory ◽  
Fluid Theory ◽  
Monomer Fraction ◽  
Bonding Systems

Evaluation of the Nonrandom Hydrogen Bonding (NRHB) Theory and the Simplified Perturbed-Chain−Statistical Associating Fluid Theory (sPC-SAFT). 1. Vapor−Liquid Equilibria

2008 ◽  
Vol 47 (15) ◽  
pp. 5636-5650 ◽  
Author(s):  
Andreas Grenner ◽  
Ioannis Tsivintzelis ◽  
Ioannis G. Economou ◽  
Costas Panayiotou ◽  
Georgios M. Kontogeorgis
Keyword(s):  
Hydrogen Bonding ◽  
Statistical Associating Fluid Theory ◽  
Fluid Theory ◽  
Vapor Liquid Equilibria ◽  
Vapor Liquid

Wax precipitation modelling using Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT)

2021 ◽  
Vol 531 ◽  
pp. 112911
Author(s):  
I. Shahsenov ◽  
I. Baghishov ◽  
P. Allahverdiyev ◽  
E. Azizov
Keyword(s):  
Statistical Associating Fluid Theory ◽  
Wax Precipitation ◽  
Fluid Theory

Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (S,S)-N,N′-monothiooxalyldileucine methyl ester and its dithio analogue

2004 ◽  
Vol 60 (1) ◽  
pp. 90-96 ◽  
Author(s):  
Biserka Kojić-Prodić ◽  
Berislav Perić ◽  
Zoran Štefanić ◽  
Anton Meden ◽  
Janja Makarević ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Methyl Ester ◽  
Crystal Structures ◽  
Hydrogen Bond Network ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Bond Network ◽  
Bonding Systems

To compare the structural properties of oxalamide and thiooxalamide groups in the formation of hydrogen bonds suitable for supramolecular assemblies a series of retropeptides was studied. Some of them, having oxalamide bridges, are gelators of organic solvents and water. However, retropeptides with oxygen replaced by the sp 2 sulfur have not exhibited such properties. The crystal structures of the two title compounds are homostructural, i.e. they have similar packing arrangements. The monothio compound crystallizes in the orthorhombic space group P212121 with two molecules in the asymmetric unit arranged in a hydrogen-bond network with an approximate 41 axis along the crystallographic b axis. However, the dithio and dioxo analogues crystallize in the tetragonal space group P41 with similar packing patterns and hydrogen-bonding systems arranged in agreement with a crystallographic 41 axis. Thus, these two analogues are isostructural having closely related hydrogen-bonding patterns in spite of the different size and polarity of oxygen and sulfur which serve as the proton acceptors.

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