Structure and Liquid Fragility in Sodium Carbonate.

Title	Structure and Liquid Fragility in Sodium Carbonate.
Authors	M. Wilson; M.C.C. Ribeiro; M.C. Wilding; C. Benmore; J.K.R. Weber; O. Alderman; A. Tamalonis; J.B. Parise
Journal	J Phys Chem A
DOI	10.1021/acs.jpca.7b10712
Abstract	The relationship between local structure and dynamics is explored for molten sodium carbonate. A flexible fluctuating-charge model, which allows for changes in the shape and charge distribution of the carbonate molecular anion, is developed. The system shows the evolution of highly temperature-dependent complex low-dimensional structures which control the dynamics (and hence the liquid fragility). By varying the molecular anion charge distribution, the key interactions responsible for the formation of these structures can be identified and rationalized. An increase in the mean charge separation within the carbonate ions increases the connectivity of the emerging structures and leads to an increase in the system fragility.
Citation	M. Wilson; M.C.C. Ribeiro; M.C. Wilding; C. Benmore; J.K.R. Weber; O. Alderman; A. Tamalonis; J.B. Parise.Structure and Liquid Fragility in Sodium Carbonate.. J Phys Chem A. 2018. doi:10.1021/acs.jpca.7b10712

Related Elements

Sodium

11 Na 22.989769280 Sodium

See more Sodium products. Sodium (atomic symbol: Na, atomic number: 11) is a Block D, Group 5, Period 4 element with an atomic weight of 22.989769. The number of electrons in each of Sodium's shells is [2, 8, 1] and its electron configuration is [Ne] 3s¹. The sodium atom has a radius of 185.8 pm and a Van der Waals radius of 227 pm. Sodium was discovered and first isolated by Sir Humphrey Davy in 1807. In its elemental form, sodium has a silvery-white metallic appearance. It is the sixth most abundant element, making up 2.6 % of the earth's crust. Sodium does not occur in nature as a free element and must be extracted from its compounds (e.g., feldspars, sodalite, and rock salt). The name Sodium is thought to come from the Arabic word suda, meaning "headache" (due to sodium carbonate's headache-alleviating properties), and its elemental symbol Na comes from natrium, its Latin name.