19–22 May 2026
Europe/Paris timezone

Molecular Resilience of Urease for Microbial Sand Consolidation: Insights from High-Pressure, High-Temperature MD Simulations

21 May 2026, 10:05
1h 30m
Poster Presentation (MS04) Biological Processes in Porous Media Poster

Speaker

Safwat Abdel-Azeim (King Fahd university of petroleu)

Description

Sand production remains a critical flow assurance challenge in hydrocarbon extraction, necessitating costly mechanical or chemical interventions that often carry significant environmental footprints. Microbial-Induced Calcite Precipitation (MICP) offers a sustainable alternative for consolidating unconsolidated formations; however, the viability of the urease enzyme under harsh deep-subsurface conditions remains a key uncertainty. This study utilizes large-scale Molecular Dynamics (MD) simulations to evaluate the thermodynamic and structural stability of jack bean urease under extreme reservoir conditions (high pressure, elevated temperature, and high salinity). Simulations of a total of 5 μs, we demonstrate that urease maintains exceptional structural integrity in these aggressive environments. Contrary to the expectation of conformational denaturation, extreme reservoir conditions were found to enhance the enzyme’s conformational stability. Key findings include the frequent sampling of "wide-open" conformations by the active site flap, a dynamic behavior that facilitates optimal urea access and catalytic efficiency. Furthermore, we observe that background brine ions (Ca²⁺ and Cl⁻) stabilize the protein surface via electrostatic interactions, while the critical Ni²⁺ coordination site remains intact without interference from competing divalent cations. These results provide the molecular-level support needed to deploy enzymatic sand consolidation in high-salinity, HPHT subsurface reservoirs, paving the way for robust, bio-inspired geotechnical solutions.

Country Saudi Arabia
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Author

Safwat Abdel-Azeim (King Fahd university of petroleu)

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