نتایج جستجو برای: physisorption
تعداد نتایج: 985 فیلتر نتایج به سال:
The ligand functionalization effect on the CO(2)/CH(4) separation performance of the MOF type UiO-66(Zr) was explored computationally. The -SO(3)H and -CO(2)H functionalized forms show the highest selectivity, good working capacity and medium ranged CO(2) adsorption enthalpy that make these materials very promising for physisorption-based processes.
The adsorption of benzotriazole--an outstanding corrosion inhibitor for copper--on Cu(111), Cu(100), Cu(110), and low coordinated defects thereon has been studied and characterized using density functional theory (DFT) calculations. We find that benzotriazole can either chemisorb in an upright geometry or physisorb with the molecular plane being nearly parallel to the surface. While the magnitu...
Although numerous investigations have revealed the gas physisorption characteristics of porous media, essence behavior within nanoscale space is still indistinct. We speculated that a complex molecular system (e.g., CH4 and CO2) exhibits quantum effect due to confinement nanopores. Gas molecules occur in varied orbitals following certain probabilities and, therefore, separate energy levels insi...
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