Jorulf Brynestad's research while affiliated with Oak Ridge National Laboratory and other places
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Publications (21)
Analyses of precise single-crystal x-ray diffraction data from (Cr/sub 23-x/Fe/sub x/)Câ phases precipitated from Cr-Fe-C alloys equilibrated at 1200/degree/C can give reliable estimates of site-occupation parameters in the range 7.4/greater than equivalent to/x/greater than equivalent to/1.7. The distribution parameters are summarized. 6 refs.
Analyses of precise single-crystal x-ray diffraction data from (Cr/sub 23-x/Fe/sub x/)C/sub 6/ phases precipitated from Cr-Fe-C alloys equilibrated at 1200/degree/C can give reliable estimates of site-occupation parameters in the range 7.4/greater than equivalent to/x/greater than equivalent to/1.7. The distribution parameters are summarized. 6 ref...
We have examined in detail the principal series which have been used to represent the thermodynamcs of binary systems and have concluded that in every case the higher members suffer in some important way. The best choice for a third member is based upon a series expansion of the statistical mechanical treatment of Guggenheim. An entirely new form f...
Absorption spectrophotometry has been used to measure equilibrium pressures of Te2 vapor over molten LiTe3 from 460 to 757°C and over solid mixtures of LiTe3 and Li2Te from 380 to 449°C. The equilibrium pressure of Te2 over molten LiTe3 is given by log10PTe2[atm]=3.777 − 5367/T, whereas for the equilibrium it is log10 PTe2[atm] = 5.328 − 6726/T. By...
The crystal structure approximates and hexagonal sequence of close-packed chloride ion layers lying normal to c in which zinc ions occupy certain tetrahedral holes. Atom positions in the refined structure differ from those of the approximate model by at most 0.1 A. Important interatomic distances and angles computed from the coordinates are listed....
Wasserfreies ZnCl, wird unter peinlichem Wasserausschlu? aus nach bekannten Methoden erhaltenen ZnCl2- Proben durch Umkristallisieren aus der Schmelze (unter He) bzw. durch Vakuumdestillation in einem Temp.-Gradienten dargestellt.
The product is monophasic and has a crystal structure different from that of another author's phases, though still based on tetrahedral zinc coordination in a close-packed anion lattice. It does undergo phase transformations in ambient atmosphere. Syntheses of two sample products are described. Powders and crystals of either sample showed a charact...
Die Gleichgewichtsdampfdrücke von Te, über geschmolzenem LiTe3 und über festen Gemischen von LiTe3 und LizTe werden als Funktion der Temperatur (460-75 7°C bzw. 380-449°C) gemessen und die thermodynamische Stabilität von festem LiTe3 bestimmt.
High purity monoclinic Eu2O3 single crystals were grown from the molten solvent NaF by convective mass transport. Four-week runs produced transparent acicular crystals up to 0.2 x 0.2 x 5 mm in size with well-developed [101] and 01 prism 0609 0812 V faces. Mass spectrometric analysis indicated a crystal purity of >99.99%, with <3 ppm Na, 3 ppm F, a...
Optical absorption spectra of dilute solutions of NiCl2 in molten ZnCl2☒CsCl mixtures were measured over the complete range of solvent compositions. The temperature extremes investigated were 260°C for melts containing 38 mole % CsCl and 1000°C for 75 mole % CsCl. At temperatures within 100–300°C of the liquidus (depending on melt composition) the...
We show that isosbestic points generated by changes in temperature or solvent composition may be formed under a wider variety of conditions than previously recognized, so that the rules previously proposed for interpreting these points in terms of the number of absorbing species or the number of independent reaction parameters are unreliable. Examp...
A method is described for measuring the optical absorption spectra of the crystalline and liquid phases of a transition-metal salt close to the melting point. Supercooling the liquid permits measuring both phases at the same temperature. This technique was applied to Cs3NiCl5 (mp 547°C) and CsNiCl3 (mp 758°C). It was shown that when Cs3NiCl5 melts,...
The absorption spectra of nickel centers in MgCl2&sngbnd;KCl mixtures of various compositions were measured from about 5–28 kK at temperatures up to 1060°C. The observed behavior was qualitatively similar to that previously reported for nickel centers in liquid LiCl&sngbnd;KCl mixtures and, in a general way, fits the same model.
The electronic absorption spectra (4–28 kK) of dilute solutions of NiCl2 in liquid LiCl☒KCl mixtures were measured at representative solvent compositions and temperatures from pure LiCl to pure KCl and and from 363° to 1070°C. Phenomenologically the spectra respond to changes in temperature at high temperature and changes in solvent composition at...
Temperature dependence from 80° to 763°K is reported for the intraconfigurational 3d8↔3d8 transitions of octahedrally coordinated [NiCl6]4− in single crystals of K(Mg1−x, Nix)Cl3 with small x. The crystal structure of the host material, KMgCl3, is reported at 298°, 383°, and 448°K. Band energies are treated in terms of the Liehr—Ballhausen model of...
Optical absorption spectra (5–26 kK) of fused mixtures of CsCl and NiCl2 containing 2–60 mole % NiCl2 were measured at about 860°C and a mixture containing 20 mole % NiCl2 was studied at 560°—862°C. Up to 20 mole % NiCl2 the Bouguer—Beer law was accurately obeyed, and each nickel was tetrahedrally coordinated to four chlorides. At higher NiCl2 cont...
Citations
... Experimentally, according to single-crystal X-ray diffraction data, there is evidence of the selective metallic site occupation of Fe in γ-Cr 23−x Fe x C 6 in the range of 0 ≤ x ≤ 7.36 31,32 . At a low Fe fraction, the Fe atoms occupy the 4a and 8c sites, and they simultaneously begin to occupy the 48h and 32f sites at higher Fe fractions. ...
... Growth of high-purity B-Eu20 3 crystals by convective mass transport from molten NaF has been described by Bennett, Finch, Yakel, Brynestad & Clark (1977). Crystals from this process were preferred for the structural study because (a) the growth temperature (1423-1473 K) was in the B-phase stability region, (b) the growth could be carried out in dry (<5 p.p.m. ...
... 9,15,17 In the EMIC-AlCl 3 based bath, insoluble polymer-like deposits composed of a complex such as [Ti(AlCl 4 ) 2 ] n may also be formed. 9,18 On the other hand, Uchida et al. 13 proposed that addition of metal Al powder to the molten salt bath of AlCl 3 -NaCl-KCl with supplying TiCl 4 gas could improve the current efficiency of electrodeposition and Ti content of Al-Ti alloy by promoting pre-reduction of Ti[IV] to Ti[II] on Al powder and thus suppressing formation of TiCl 3 . z E-mail: azumi@eng.hokudai.ac.jp ...
... The results of the XRD temperature scans are presented in Fig. 3 [63]. The XRD pattern of the carnallite starting material at 25 • C did not show any contamination from one of the single salts. ...
... For example, a solute Ni(II) ion in molten ZnCl2-alkali chloride mixtures exhibits a very complicated dependence of its coordination geometry on solvent composition and temperature. [31][32][33][34][35] Conventional EXAFS analysis assumes that the structural distribution (commonly represented by the pair distribution (g(r)) of ions/atoms) can be described by a Gaussian function. Because of the inability to separate between multiple coordination states for Ni(II) that coexist in molten ZnCl2, EXAFS fitting using Gaussian distributions fails to accurately describe the local coordination structure, drastically underestimating the coordination number (CN) of Ni(II) to an unphysical value (CN <2). ...
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... The optical absorption spectra of transition metal ions have been analyzed experimentally in several molten halide salts [10][11][12][13][14][15][16]; however, the absorption spectra are not usually accurately obtained and compared using a computational framework [17][18][19]. Computational analysis to predict various properties of the salt systems, especially coordination and structural chemistry, is an area with widening interest for metal inclusions in various molten salt media. ...
![[object Object]](https://i1.rgstatic.net/ii/profile.image/1010821215830016-1618009966122_Q64/Boston-Charles.jpg)
... For furthera nalysis, we considered the interaction of Fe(II) with [AlCl 4 ] À .I tw as reported that some divalent transition-metal cations such as Ti(II), Co(II), and Ni(II) form stable complexes of the form M(AlCl 4 ) 2 . [62][63][64] It was also observed that some transition-metal chlorides (e.g.,M Cl 2 ,i nw hich M = Mn, Co, and Ni)f orm different complexes in 1-ethyl-3-methylimidazolum chloride-AlCl 3 depending on the acidity of the melts. For example, [CoCl 4 ] 2À and [Co(AlCl 4 ) 3 ] À were found in basic and acidic compositions of 1-ethyl-3-methylimidazolumc hloride-AlCl 3 ,r espectively. ...
... For instance, calorimetric studies of the ACl-MCl 2 systems (M = Mn, Fe, Co, Ni, Cd; A = Li, Na, K, Rb, Cs) [50][51][52] revealed a minimum for the enthalpy of mixing near X(MCl 2 )=0.33, the stoichiometry which favours the formation of tetrahedral MCl 24 complexes in the melt. Complexes of these kind have been observed spectroscopically in studies in which NiCl 2 is dissolved in alkali chlorides [53,54]. The coordination of [ThCl x ] 4´x shells has been studied with Raman spectroscopy by Photiadis and Papatheodorou [55], and they were found to be 6 (octahedral) and 7-coordinated (pentagonal bipyramidal) in melts rich in alkali chloride (A = Li, Na, K, Cs). ...
... On the other hand, CH 3 NH 3 NiBrCl 2 starts to decompose at 295 • C, losing 26.89% of its mass, and then melts at 680 • C. All the thermal effects are associated with DSC endothermic signals, as indicated in the bottom of Figure 4. The melting point of CsNiCl 3 is in good agreement with the value determined by Boston et al. [29]. ...
... For example, a solute Ni(II) ion in molten ZnCl2-alkali chloride mixtures exhibits a very complicated dependence of its coordination geometry on solvent composition and temperature. [31][32][33][34][35] Conventional EXAFS analysis assumes that the structural distribution (commonly represented by the pair distribution (g(r)) of ions/atoms) can be described by a Gaussian function. Because of the inability to separate between multiple coordination states for Ni(II) that coexist in molten ZnCl2, EXAFS fitting using Gaussian distributions fails to accurately describe the local coordination structure, drastically underestimating the coordination number (CN) of Ni(II) to an unphysical value (CN <2). ...
