scholarly journals Prediction of Physicochemical Properties of Organic Compounds from 2D Molecular Structure – Fragment Methods vs. LFER Models

2006 ◽  
Vol 60 (10) ◽  
pp. 691-698 ◽  
Author(s):  
Gerrit Schüürmann ◽  
Ralf-Uwe Ebert ◽  
Ralph Kühne
1997 ◽  
Vol 35 (7) ◽  
pp. 279-285 ◽  
Author(s):  
P. C. Chiang ◽  
E. E. Chang ◽  
J. S. Wu

In this investigation, nine typical compounds, i.e., phenol, 2-aminophenol, aniline, 2-chlorophenol, chlorobenzene, β-naphthol, naphthalene, α-naphthylamine and α-chloronaphthalene were introduced to evaluate the effects of the molecular structure and physicochemical properties of these selected adsorbates on the adsorption capacity and desorption efficiency of the activated carbon. Both the thermal and chemical regeneration methods were employed to compare the regeneration efficiencies among these adsorbates and adsorbent.


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