scholarly journals Robust algorithms for the solution of the ideal adsorbed solution theory equations

AIChE Journal ◽  
2014 ◽  
Vol 61 (3) ◽  
pp. 981-991 ◽  
Author(s):  
Enzo Mangano ◽  
Daniel Friedrich ◽  
Stefano Brandani
Keyword(s):  
Solution Theory ◽  
Robust Algorithms ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
The Ideal ◽  
Adsorbed Solution Theory

Numerical Integral in the Ideal Adsorbed Solution Theory

2011 ◽  
Vol 396-398 ◽  
pp. 1809-1812
Author(s):  
Quan Li Feng ◽  
Ming Lei Lian ◽  
Xue Qian Wang ◽  
Ping Ning
Keyword(s):  
Experimental Data ◽  
Numerical Calculation ◽  
Numerical Integration ◽  
Pure Component ◽  
Single Component ◽  
Solution Theory ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
The Ideal ◽  
Adsorbed Solution Theory

The ideal adsorbed solution (IAS) theory has an advantage that no restriction exists for the type of pure component isotherm. One can choose the isotherm that fits the experimental data best. However, the theory requires a lot of numerical calculation, including numerical integration. This study shows that IAS needs very accurate values of numerical integration when the D-R equation is used as a single component isotherm. The error of numerical integration should be set to be no larger than 10-7. Otherwise the error of numerical calculation will occur, which may increase prediction deviation.

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