Computerized optimization of flows and temperature gradient in flow modulated comprehensive two-dimensional gas...

Area of Science:

• Analytical Chemistry
• Chromatography

Background:

• Gas chromatography-gas chromatography (GC×GC) is a powerful separation technique.
• Optimizing separation parameters is crucial for analyzing complex mixtures like petrochemical samples.

Purpose of the Study:

• To optimize flow rates and temperature program rate for GC×GC-FID separation of C6-C12 aromatic hydrocarbons.
• To evaluate informational entropy and syentropy percent as criteria for optimizing 2D chromatographic separations.

Main Methods:

• Utilized flow-modulated GC×GC-FID with a polar ionic liquid column (SLB-IL 100) in the first dimension and an apolar column (HP-5MS) in the second.
• Employed informational entropy and syentropy percent to optimize carrier gas flows ((1)Fm, (2)Fm) and temperature program rate (r).

Main Results:

• A dependence of aromatic hydrocarbon distribution on carrier gas flows and temperature gradient was observed.
• Informational entropy and syentropy percent effectively characterized peak distribution in the 2D retention plane.
• Maximum entropy and syentropy values correlated with optimal separation and compound distribution.

Conclusions:

• Informational entropy and syentropy percent are advantageous criteria for optimizing GC×GC separations.
• Optimized flow rates and temperature program rate lead to maximum distribution of C6-C12 aromatic hydrocarbons in the 2D retention plane.