| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 592291 | Colloids and Surfaces A: Physicochemical and Engineering Aspects | 2015 | 9 Pages |
Abstract
- Adsorption of carboxylates on the hydrophilic calcite surface was simulated.
- A new force field was developed to investigate the thermodynamics of the adsorption.
- Probable molecular packing of the adsorbed monolayer on the calcite was estimated.
- The stability of the adsorbed carboxylates was assessed via steered MD simulation.
- Desorption of carboxylate from calcite requires 148Â kcal/mol in oil phase.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Colloid and Surface Chemistry
Authors
Byeong Jae Chun, Seung Geol Lee, Ji Il Choi, Seung Soon Jang,