نتایج جستجو برای: hydrogen molecule adsorption on mil 47 m m v
تعداد نتایج: 8952614 فیلتر نتایج به سال:
Knowledge of the interaction between inorganic and organic phosphates with soil minerals is vital for improving P-fertility. To achieve an in-depth understanding, we combined adsorption experiments hybrid ab initio molecular dynamics simulations to analyze common phosphates, i.e., orthophosphate (OP), glycerolphosphate (GP) inositolhexaphosphate (IHP), onto 100 surface plane goethite. Experimen...
/ j( %( - d e $ m* e g( 1n . o m* - ) ep j+ o1n . ( - 1q ??+ ??* + / - d e $ e g( 1n . r ( os@ ep ( 5 59* a o5% : 6 /: & 5 & + 6 oep ( a ( 0( + 5< t( oa - ()* -+ -2 - ? g ??= : u 1 ??+ 1n . r ( -2 e6 -+ -2 - ? . v o?? & ( ( /: ()* -+ % - ? ??p - o + * ? e70 s+* ? ??57 m* e g( + -+ 1;w g* ? ( ?? i + *...
By using the density function theory (DFT) the adsorption of nitramine (NH2NO2) molecule on the surface of pristine and Ni functionalized of Gallium nitride nanotube (GaNNTs) is investigated. The adsorption energy of NH2NO2 molecule on the surface of pristine and Ni functionalized GaNNTs is in range ‒6.59 to ‒48.16 Kcal/mol and is physisorption type. The ∆E and ∆H values of the all adsorption m...
Understanding the adsorption of water in metal−organic frameworks (MOF), and particularly in soft porous crystals, is a crucial prerequisite before considering MOFs for industrial applications. We report here a joint experimental and theoretical study on the behavior of a gallium-based breathing MOF, Ga-MIL-53, upon water adsorption. By looking at the energetics and thermodynamics of Ga-MIL-53,...
In this study the adsorption of selenium molecule (Se2) on the outer surface of zigzag (5,0), (8,0) and (10,0) carbon nanotubes has been investigated. We examined number adsorbed orientations as well as different adsorption sites on nanotubes. The adsorption energies, equilibrium distances, energy differences between the highest occupied molecular orbital (HOMO) and lowest uno...
-Competitive adsorption between glyphosate and phosphate on goethite was evaluated. The influence of background electrolyte on the adsorption of glyphosate and phosphate was also investigated by using 0.01 M KC1, 0.1 M KC1 and 0.01 M CaCI 2 as background electrolytes. Experiments showed that phosphate displaced adsorbed glyphosate from goethite, whereas glyphosate did not displace phosphate. Re...
فرض کنید r یک حلقه جابجایی نوتری و m یک r -مدول باشد. m مکمل شده نامیده می شود هر گاه به ازای هر زیر مدول uاز m مجموعه {v?m? u+v=m} دارای عضو مینیمال باشد. در این پایان نامه ساختار مدول های مکمل شده را روی حلقه های نوتری مورد بررسی قرار می دهیم. همچنین بعد از تقلیل مسیٍ?له برای حلقه های موضعی نشان می دهیم هر مدول مکمل شده به صورت جمع مدول های رادیکالی مینی ماکس و هم اتمی می باشد که مولفه های راد...
To optimize fuel cells performance using alcohols as it is essential to untangle the mechanism of methanol electro-oxidation on platinum in aqueous medium a model reaction. Recent studies have pointed out particular necessity adsorbed OH for this process take place 1 . The here reported results, carefully obtained under low concentrations three basal planes at different scan rates discriminate ...
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