Fluid migration in calcite nanopores under salinity gradients:Insights from molecular dynamicsOA
The migration mechanisms of ore-forming fluids have long been a focus in the field of ore deposit studies.Calcite is ubiquitously present in various types of rocks in the lithosphere,and the underlying mechanisms of its influence on fluid migration are of crucial importance.While previous studies have revealed that salinity changes can modulate fluid migration,the underlying mechanisms remain poorly understood.We employ molecular dynamics simulations to elucidate how salinity variations in ore-forming fluids modulate the adsorption onto calcite nanopore walls,thereby revealing the microscopic mechanisms governing ore fluid transport through calcite nano-fractures.The results show that the adsorption energy Eint of the solution on the calcite surface increased from -14,948.84±182.48 kcal/mol to -12,144.08±118.2 kcal/mol as salinity increased,which is conducive to the long-range transport of the fluid in the calcite nanopore.
Yi Chen;Yan Zhang;Run-Sheng Han;Lei Wang
Faculty of Land Resources Engineering,Kunming University of Science and Technology,Kunming 650093,China South-West Institute of Geological Survey,Geological Survey Center for Nonferrous Metals Resources,Kunming 650093,ChinaFaculty of Land Resources Engineering,Kunming University of Science and Technology,Kunming 650093,China South-West Institute of Geological Survey,Geological Survey Center for Nonferrous Metals Resources,Kunming 650093,ChinaFaculty of Land Resources Engineering,Kunming University of Science and Technology,Kunming 650093,China South-West Institute of Geological Survey,Geological Survey Center for Nonferrous Metals Resources,Kunming 650093,ChinaFaculty of Land Resources Engineering,Kunming University of Science and Technology,Kunming 650093,China South-West Institute of Geological Survey,Geological Survey Center for Nonferrous Metals Resources,Kunming 650093,China
天文与地球科学
Fluid transport dynamicsSalinity gradient regulationCalcite nanoporesMolecular dynamics simulation
《Acta Geochimica》 2026 (1)
P.185-203,19
financed jointly by the National Major Science and Technology Special Project on Deep Earth Exploration(2024ZD1001701-5)the National Natural Science Foundation of China(42472127,42172086)the Yunnan Major Project of Basic Research(202401BN070001-002)Yunnan Mineral Resources Prediction and Evaluation Engineering Research Center(2011)Innovation Team Program of Kunming University of Science and Technology,Yunnan Province。
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