Is there any free software that can simulate pH dependence of adsorption of anions by carbonaceous materials?
Dear Nathanael Damilare Ojo,
You may want to look at the following data:
A modified Langmuir-Freundlich isotherm model for...
Analytical isotherm equations such as Langmuir and Freundlich isotherms are widely used for modeling adsorption data. However, these isotherms are primarily useful for simulating data collected at a fixed pH value and cannot be easily adapted to simulate pH-dependent adsorption effects. Therefore, most adsorption studies currently use numerical surface-complexation models (SCMs), which are more complex and time consuming than traditional analytical isotherm models. In this work, we propose a new analytical isotherm model, identified as the modified Langm.uir-Freundlich (MLF) isotherm, which can be used to simulate pH-dependent adsorption. The MLF isotherm uses a linear correlation between pH and affinity coefficient values.
https://www.researchgate.net/publication/221762917_A_modified_Langmuir-Freundlich_isotherm_model_for_simulating_pH-dependent_adsorption_effects
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https://www.mdpi.com/1422-0067/21/21/7874/htm
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Adsorption is a surface process that leads to transfer of a molecule from a fluid bulk to solid surface. This can occur because of physical forces or by chemical bonds. Usually it is reversible (the reverse process is called desorption); then it is responsible not only for a subtraction of substances but also for release. In most of the cases, this process is described at the equilibrium by means of some equations that quantify the amount of substance attached on the surface given the concentration in the fluid. These equations are called isotherms (the most famous are the Langmuir and the Freundlich equations) because of the dependence of their parameters on the temperature, which is one of the most important environmental factors affecting adsorption. Adsorption has a fundamental role in ecology: it regulates the exchanges between geosphere and hydrosphere and atmosphere, accounts for the transport of substances in the ecosystems, and triggers other important processes like ionic exchange and enzymatic processes.
https://www.sciencedirect.com/topics/earth-and-planetary-sciences/adsorption
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