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1

Surface modification, organometallic and polyaryl polymer coatings, and flame spray technologies for preventing corrosion of metals. Final report  

Energy Technology Data Exchange (ETDEWEB)

To improve adherent properties of electrogalvanized steel (EGS) to polymeric topcoats, the surfaces of EGS were modified by polyelectrolyte-modified zinc phosphating solution. The electrochemical reaction between phosphating solution and EGS led to the complete coverage with fully grown hopeite crystals after only 5 sec treatment, thereby improving adhesion to topcoating and providing protection of EGS against corrosion. To evaluate the ability of polyphenylene sulfide (PPS) polyaryl thermoplastic coatings to protect zinc phosphate (Zn{center_dot}Ph)treated steels from corrosion in a wet, harsh environment ( 1.0 wt % H{sub 2}SO{sub 4}, 3.0 wt % NaCl and 96.0 wt % water at temperatures from 25{degrees} to 200{degree}C), we exposed them in an autoclave to attempt heating-cooling cyclic fatigue tests (1 cycle = 12 hr at 200{degrees}C + 12 hr at 25{degrees}C) up to 90 times. The major chemical reaction at the interface between the PPS and Zn in the Zn-Ph layer during cycling led to the ...

1995-07-01

2

Synthetic fuel composition  

Energy Technology Data Exchange (ETDEWEB)

The title composition comprises methanol containing stearic acid, C/sub 6/H/sub 6/, dextrin, phenol, a combustion accelerator (ethylene dichloride, xylene, Al stearate, a compound of acetic acid); a foaming agent; and ether and an antiknocking agent. The respective ignition point and boiling point of example compounds were 15.1-15.6/sup 0/ and 63.8-64.1/sup 0/.

1981-09-17

3

Synthesis, solid and solution studies of paraquat dichloride calixarene complexes. Molecular modelling  

International Nuclear Information System (INIS)

The interaction of the herbicide paraquat dichloride (P Q, substrate) with p-tert-butylcalix arenas (L, receptor) was investigated in both the solution and solid states. The isolated paraquat calixarene complexes were characterised by UV-visible, 1H NMR, ESI-Ms, Luminescence and IR spectroscopies and elemental analysis. The stoichiometry of complexes 1 and 2 was 1:1 (1 herbicide: 1 calixarene) and both revealed a biexponential luminescence decay with lifetimes depending on the size and the conformational particularity of the calixarenes. Molecular modelling suggested that both calixarenes interact with the herbicide through cation-? interaction. P Q in included in the p-tert butylcalix a rene cavity, a situation favoured by its pinched conformation in polar solvent while it is partially included in the p-tert butylcalix a rene cavity because of its in-out cone conformation. The theoretical results, in particular using Mopac procedures, were in agreement with the ...

4

Spectroscopic properties of the f-elements in compounds and solutions. [79 references  

Energy Technology Data Exchange (ETDEWEB)

In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 tables.

1982-01-01

5

The electronic structure of organometallic complexes of the f elements XXV. Crystal field splitting pattern of the anionic complex [Cp_3Pr. NCS]"-  

International Nuclear Information System (INIS)

The absorption, emission and magnetic circular dichroism spectra of the anionic complex (Cp_3Pr. NCS)"- were measured at room and low temperatures. On the basis of these spectra the electronic structure in the f-f range could be derived. The parameters of an empirical Hamiltonian were fitted to the experimentally determined crystal field splitting pattern. Compared with the previously examined neutral Cp_3 Pr.X complexes the quadratic crystal field parameter B_0"2 is considerably reduced.

6

Electronic structures of organometallic complexes of f elements. XLIV. Parametrization of the crystal field splitting pattern of [(MeCp)_3PrCl]"-  

International Nuclear Information System (INIS)

The absorption and magnetic circular dichroism spectra of [N(n-Bu)_4]"+[(MeCp)_3PrCl]"- dissolved in 2-MeTHF were measured at room and at low temperatures. On the basis of these spectra the crystal field splitting pattern could be derived. The parameters of an empirical Hamiltonian were fitted to the energies of 42 levels to give an r.m.s. deviation of 23 cm"-"1. From the crystal field parameters obtained the crystal field strength of the ligand collective was estimated. Compared with neutral Cp_3Pr circle B complexes the crystal field strength of the anionic [(MeCp)_3PrCl]"- moiety is unusually low. (orig.)

1998-07-24

7

Electronic structures of highly symmetrical compounds of f elements. XXXI. Simulation of the crystal field splitting pattern of (THF)_3Li(#mu#-Cl)Nd[N(SiMe_3)_2]_3  

International Nuclear Information System (INIS)

The absorption spectra of an unoriented single crystal of the title compound (1) have been measured at room and at low temperatures. Assuming a similar sequence of crystal field (CF) levels as for the previously analyzed Nd[N(SiMe_3)_2]_3 (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hamiltonian are fitted to the energies of 71 levels to give an r.m.s. deviation of 24.2 cm"-"1. The parameters obtained are compared with those of 2 and Nd[N(SiMe_3)_2]_3(CNC_6H_1_1)_2 (3). The observed trends of CF parameters are consistent with the results of simple model calculations in the framework of the angular overlap model. (orig.)

1998-07-24

8

4-week oral toxicity study of a combination of eight chemicals in rats: comparison with the toxicity of the individual compounds.  

Science.gov (United States)

In a 4-wk oral toxicity study, 4-wk-old male and female Wistar rats were exposed to a combination of arbitrarily chosen chemicals comprising sodium metabisulphite, Mirex, Loperamide, metaldehyde, di-n-octyltin dichloride, stannous chloride, lysinoalanine and potassium nitrite. The dose levels used were based on the "no-observed-adverse-effect level" (NOAEL) and the "minimum-observed-adverse-effect level" (MOAEL) of the individual compounds obtained in similar studies with Wistar rats previously performed at TNO-CIVO, and comprised 0 (controls), 1/10 and 1/3 of the NOAEL, the NOAEL and the MOAEL. In comparison with the adverse effects of the individual compounds, both more severe and less severe adverse effects were observed at the MOAEL of the combined compounds, indicating interaction of effects at this exposure level. Slightly decreased haemoglobin content and slightly increased relative kidney weight were the only treatment-related adverse effects seen in the ...

1990-09-01

9

Crystal field influence on the {sup 8}S{sub 7/2} ground state splitting of Bk{sup 4+} in CeF{sub 4}.  

Energy Technology Data Exchange (ETDEWEB)

The one-particle models of crystal-field theory provide a qualitative interpretation for the observed ground state splitting of four Kramers doublets of the {sup 8}S{sub 7/2} of Bk{sup 4+} doped into CeF{sub 4}. A set of nine nonzero (B{sup k}{sub q}) parameters corresponding a C{sub 2v} point symmetry provide a very good correlation between the experimental data and simulated energy level schemes within a rms deviation of 13.7 cm{sup -1}. The calculated and experimental energy values have the same order-of-magnitude for the ground state and excited components. The total ground state splitting of the S-state ions of f-elements such as Bk{sup 4+} in CeF{sub 4} is larger when compared with Cm{sup 3+} :LaCl{sub 3} and Gd{sup 3+} :La(C{sub 2}H{sub 5}SO{sub 4}){sub 3}-9H{sub 2}O ions. The so-called crystal-field strength parameter, N{sub v}, increases as a function of the increasing maximum splitting of the ground state due to a decrease in the participation of the pure ...

2000-03-01