37 research outputs found
The chemical composition of atmospheric precipitation from selected stations in Michigan
The pH and amount of rainfall from over 60 selected stations throughout northern and lower Michigan was determined from September 1972 to December 1974. Precipitation pH was determined for each station by calibrated electrode meters.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/43904/1/11270_2004_Article_BF00182879.pd
DFT Simulations of the Structure and Cation Order of Norsethite, BaMg(CO3)2
Norsethite, BaMg(CO3)2, is an interesting mineral that can be used to investigate processes leading to the formation of dolomite and other dolomite-type structures. To this end, it is first necessary to study in detail the Ba–Mg cation arrangement in the crystal structure of norsethite. In this work, first-principles calculations based on density functional theory (DFT) have been used to simulate cation ordering for the crystal structures of two BaMg(CO3)2 polymorphs: the low-temperature polymorph (up to ∼360 K), α-norsethite (R3̅c), and the high-temperature polymorph (above ∼360 K), β-norsethite (R3̅m). We found that for both structural variants of norsethite, the most stable cation arrangements are those with the alternation of barium and magnesium layers along the c-axis. Furthermore, we have adequately simulated nonstoichiometric β-norsethite structures since some synthetic norsethites were found to have an excess of magnesium, which seems to favor the crystallization of β-norsethite at room temperature