Solvation and chemical reaction of sodium in water clusters

Abstract

Nam(H2O)n Clusters (n = 1 . . . 200, m = 1 . . . 50) are formed in a recently build pick-up arrangement. Preformed water clusters traverse a sodium oven, where sodium atoms are picked up. At low sodium vapour pressure (< 1 × 10 −4 mbar) pure Na(H2O)n clusters are observed in the mass spectra. At high sodium vapour pressure (> 1 × 10 −3 mbar) the water cluster pick up more than 50 Na atoms and reaction products Na(NaOH)n (n = 2, 4 . . . 50) dominate the mass spectra. The even number of NaOH units in the products indicate that also in a finite cluster the reaction occurs in pairs as in the macroscopic reaction. PACS. 33.80.Eh Autoionization, photoionization, and photodetachment -36.40.Jn Reactivity of clusters -82.80.Rt Time of flight mass spectrometry

A theoretical study of Ti nanoparticle effect on sodium water reaction: Using ab initio calculation

“…When Na and H 2 O meet, an Na/H 2 O interface forms between the different phases. SWR is composed of three steps: hydration, electron solvation, and OH bond breaking (Bewig et al, 1998;Bobbert and Schulz, 2001;Buck and Steinbach, 1998;Chan et al, 2005;Cwiklik et al, 2008a,b;Fukushima et al, 2012;Glendening and Feller, 1995;Hashimoto and Morokuma, 1994;Hashimoto et al, 2013;Kim et al, 2009;Maye and Mezei, 1996;Mundy et al, 2000;Rowley and Roux, 2012;Schulz et al, 2003;Siu and Liu, 2002;Vorontsov and Novakovskaya, 2009;Wheatley, 1996;White et al, 2000). First, water molecules surround the Na atom and solvate its valance electron.…”

Theoretical study of OH-breaking reactions in Na(H2O)n clusters

“…To locate the transition state for n = 3 and 4, we examined the potential energy along every OH distance in all of the previously known Na(H 2 O) 3 and Na(H 2 O) 4 isomers [25], but could obtain only one and six TS structures for n = 3 and 4, respectively. On the other hand, by examining the IRC from each TS, we reached three new minima for n = 4, W4h-j, labeled by following Ref.…”

“…Understanding the reaction mechanism is an interesting subject. Experimental efforts to observe the reaction by collisions between sodium atoms and water vapor have been reported in the gas phase [1][2][3][4]. The products were analyzed by mass spectrometry after photoionization.…”

Interactive Virtual Reality Educational Application

“…Students will not be able to choose the number of the level, so he will start by level 1, pass through the next levels ascendingly, and end up with the quiz. In the first level, the students will be allowed to perform a dangerous real-life experiment which is "The Reaction of Sodium with Water" that produces fire [33], so the user will try to place two virtual different sized pieces of Sodium into water and notice the difference between the reactions them. In fact, the larger the amount of Sodium the more fire will be produced as shown in Figure 5.…”