Theoretical Studies of a Silica Functionalized Acrylamide for Calcium Scale Inhibition.

ABSTRACT: The calcium carbonate (CaCO₃) scale is one of the most common oilfield scales and oil and gas production bane. CaCO₃ scale can lead to a sudden halt in production or, worst-case scenario, accidents; therefore, CaCO₃ scale formation prevention is essential for the oil and gas industry. Scale inhibitors are chemicals that can mitigate this problem. We used two popular theoretical techniques in this study: Density Functional Theory (DFT) and Ab Initio Molecular Dynamics (AIMD). The objective was to investigate the inhibitory abilities of mixed oligomers, specifically acrylamide functionalized silica (AM-Silica). DFT studies indicate that Ca²⁺ does not bind readily to acryl acid and acrylamide; however, it has a good binding affinity with PAM and Sil

SUBMITTER: Onawole AT 

PROVIDER: S-EPMC9230130 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature