Unbiased Determination of Adsorption Isotherms by Inverse Method in Liquid Chromatography

Area of Science:

• Analytical Chemistry
• Chromatography
• Physical Chemistry

Background:

• The Inverse Method is a standard technique for determining adsorption isotherms in liquid chromatography.
• Traditional Inverse Method requires prior assumption of isotherm equation (e.g., Langmuir, BET).
• This limitation can affect the accuracy and applicability of isotherm determination.

Purpose of the Study:

• To develop an improved Inverse Method for adsorption isotherm determination in liquid chromatography.
• To eliminate the need for pre-assuming the isotherm equation.
• To achieve accuracy comparable to established methods like Frontal Analysis.

Main Methods:

• Developed a novel Inverse Method utilizing spline fitting for oversaturated peak calculation.
• Optimized the distribution of isotherm points to minimize discrepancies between measured and calculated peaks.
• Avoided the use of isotherm derivatives in the calculation process.

Main Results:

• The developed Inverse Method achieved accuracy similar to Frontal Analysis.
• Validation with synthetic benchmark peaks confirmed the method's reliability.
• Real-world application to determine the isotherm of butyl-benzoate yielded comparable results to Frontal Analysis.

Conclusions:

• The novel Inverse Method accurately determines adsorption isotherms without prior equation assumption.
• This method provides a viable and accurate alternative to traditional techniques in liquid chromatography.
• The approach enhances the flexibility and applicability of isotherm determination in chromatographic studies.