The retention of carbon by different soil fractions is fundamental for carbon sequestration, to understand the carbon cycle, and to explore its results on climate change. Here we present computational results for the interactions of amino acids with clay minerals to visualize surface complexes and determine adsorption dynamics. IR spectra are presented for the free forms of several natural amino acids and for the surface-ligand complexes, including the effects of pH of the soil on the zwitterionic states of the compounds. The effect of humidity was explored by adding explicit water molecules in the computations which were carried out with first principles electronic structure calculations using Density Functional Theory

Adsorption of natural amino acids to soil fractions

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.