Volume 39 Issue 4
Jul.  2022
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LIU Xingyu, MA Chao, XIE Longlong, et al.Molecular dynamics simulation of potassium formate’s ability to inhibit hydration of montmorillonite[J]. Drilling Fluid & Completion Fluid,2022, 39(4):415-422 doi: 10.12358/j.issn.1001-5620.2022.04.003
Citation: LIU Xingyu, MA Chao, XIE Longlong, et al.Molecular dynamics simulation of potassium formate’s ability to inhibit hydration of montmorillonite[J]. Drilling Fluid & Completion Fluid,2022, 39(4):415-422 doi: 10.12358/j.issn.1001-5620.2022.04.003

Molecular Dynamics Simulation of Potassium Formate’s Ability to Inhibit Hydration of Montmorillonite

doi: 10.12358/j.issn.1001-5620.2022.04.003
  • Received Date: 2022-01-06
  • Accepted Date: 2022-02-28
  • Rev Recd Date: 2022-02-20
  • Publish Date: 2022-07-30
  • Large amount of montmorillonite is generally encountered when drilling in salt/gypsum-containing or shale formations. Montmorillonite, as a typical easily hydrated and swelling clay, when in contact with filtrates from water based drilling fluids, will cause borehole wall instability, stuck pipe, tight hole and borehole collapse etc. Formate water based drilling fluid containing potassium formate, a strongly inhibitive additive, is becoming an important water based mud for drilling complex formations. In laboratory studies, a molecular dynamics method was adopted to further reveal, from the molecular point of view, the mechanisms of potassium formate to inhibit the hydration of montmorillonite. The interaction of potassium formate and montmorillonite was calculated by establishing the models of the two. It was found from the studies that the ionized formate in the potassium formate solution mainly interacts with water molecules existed in between the montmorillonite layers and can form hydrogen bonds with the water molecules. The ionized potassium, on the other hand, is adsorbed on the surfaces of the montmorillonite particles, thereby reducing the zeta-potential of the montmorillonite particles by reacting with the surfaces of the particles. At a concentration that is above a certain level, the number of potassium ions adsorbed onto the surfaces of the montmorillonite particles reaches saturation, and the redundant potassium ions begin to diffuse into the spaces between two montmorillonite layers. Simulation experiments showed that low concentration potassium formate solution is beneficial to stabilizing the mechanical property of montmorillonite; as the concentration of potassium formate increases, it inhibits the diffusion of water molecules, and the mechanical property of the montmorillonite is deteriorated to some extent. When the concentration exceeds a certain level, the inhibitive capacity of potassium formate becomes stabilized, so does the mechanical property of the montmorillonite. The simulation results show that the optimum concentration of potassium formate in water based drilling fluids is 32.57% – 34.92%.

     

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