Calculated Temperature Development of the Relative Stabilities of Yb@C82 Isomers

2014 ◽  
Vol 22 (1-3) ◽  
pp. 147-154 ◽  
Author(s):  
Zdeněk Slanina ◽  
Filip Uhlík ◽  
Shyi-Long Lee ◽  
Mitsuaki Suzuki ◽  
Xing Lu ◽  
...  
Keyword(s):  
Relative Stabilities ◽  
Calculated Temperature ◽  
Temperature Development

Authigenic silicate minerals and the magnesium budget in the oceans

1977 ◽  
Vol 286 (1336) ◽  
pp. 273-281 ◽  
Keyword(s):  
Experimental Study ◽  
Clay Minerals ◽  
Temperature Stability ◽  
Geothermal Area ◽  
Removal Rates ◽  
Relative Stabilities ◽  
Silicate Minerals ◽  
Calculated Temperature ◽  
Sheet Silicates ◽  
Excess Mg

The relative stabilities of authigenic Fe-rich and Mg-rich components in sheet silicates are considered for reactions of ( a ) clay minerals undergoing anoxic diagenesis; and ( b ) the montmorillonite phase formed by basalt-seawater interaction. For reaction ( a ) coexisting pyrite and a Mg(OH) 2 component of the silicate are close to equilibrium with aMg2+ in pore fluids (Δ G = - 0.29 kcal/mol; - 1.2 kJ/mol) and the excess Mg 2+ present approximates to that added by diffusion from overlying seawater. Reaction ( b ) can be represented by a mixture of ferroan nontronite and talc components and the calculated temperature/stability relationship agrees with mineralogical zoning in the Reykjanes geothermal area. At T = 523 K the Mg-rich component is dominant and aMg2+ is reduced to 1.7 x 10 -5 (cf. 1.35 x 10 -2 in seawater). Data from an experimental study at 473 K give the result a talc ≈ 0.2. Flux calculations give removal rates of Mg from the oceans of 0.06 x stream supply for reaction ( a ) and 0.6-1.7 x stream supply for reaction ( b ).

Computed temperature development of the relative stabilities of La@C82 isomers

2004 ◽  
Vol 388 (1-3) ◽  
pp. 74-78 ◽  
Author(s):  
Zdeněk Slanina ◽  
Kaoru Kobayashi ◽  
Shigeru Nagase
Keyword(s):  
Relative Stabilities ◽  
Temperature Development

Modeling the Temperature Development of Wall-slipping Polymers in Single-screw Channels

2009 ◽  
Vol 24 (2) ◽  
pp. 106-113 ◽  
Author(s):  
M. Kurte-Jardin ◽  
H. Potente ◽  
K. Sigge ◽  
M. Bornemann
Keyword(s):  
Single Screw ◽  
Temperature Development

scholarly journals Cementing technique for total knee arthroplasty in cadavers using a pastry bone cement

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Hans Bösebeck ◽  
Anna-Maria Holl ◽  
Peter Ochsner ◽  
Manuel Groth ◽  
Kevin Stippich ◽  
...  
Keyword(s):  
Total Knee Arthroplasty ◽  
Bone Cement ◽  
Knee Arthroplasty ◽  
Primary Total Knee Arthroplasty ◽  
Pull Out ◽  
Ensure Patient Safety ◽  
Temperature Development ◽  
Total Knee ◽  
Primary Total Knee ◽  
Rule Out

Abstract Background In cemented primary total knee arthroplasty (TKA), aseptic loosening remains a major cause for failure. Cementing techniques and characteristics of a chosen cement play a key role for good fixation and implant survival. A pastry bone cement was developed to facilitate the cement preparation and to rule out most of preparation-associated application errors. The pastry bone cement was compared to a conventional polymethyl methacrylate cement in a TKA setting. Methods Standardized implantations of total knee endoprostheses were performed in bilateral knee cadavers to investigate handling properties, variables of cement application, working time, and temperature development. Mechanical aspects and cementation quality were assessed by pull-out trials and microscopic interface analysis. Results Both cements expressed similar characteristics during preparation and application, only the curing time of the pastry cement was about 3 min longer and the temperature peak was lower. Fractures of the conventional cement specimens differed from the pastry cement specimens in the tibial part, while no differences were found in the femoral part. Penetration depth of the pastry cement was similar (tibia) or deeper (femur) compared to the conventional cement. Conclusions The pastry cement facilitates the feasibility of cemented TKA. The pre-clinical tests indicate that the pastry bone cement fulfills the requirements for bone cement in the field of knee arthroplasty. A clinical trial is needed to further investigate the approach and ensure patient safety.

HYDROGEN BONDING IN DIASTEREOISOMERIC α-β AMINOALCOHOLS: A REINVESTIGATION OF THE EPHEDRINES BY N.M.R

1960 ◽  
Vol 38 (1) ◽  
pp. 125-130 ◽  
Author(s):  
James B. Hyne
Keyword(s):  
Hydrogen Bonding ◽  
Polar Solvents ◽  
Relative Stabilities ◽  
Hydrogen Bonded

The results of an n.m.r. study of the diastereoisomeric ephedrine and ψ-ephedrine molecules in non-polar solvents are interpreted and discussed in terms of the relative stabilities of the intramolecularly hydrogen-bonded conformers.

scholarly journals Doping the Buckminsterfullerene by Substitution: Density Functional Theory Studies of C59X (X = B, N, Al, Si, P, Ga, Ge, and As)

2013 ◽  
Vol 2013 ◽  
pp. 1-9 ◽  
Author(s):  
Hongcun Bai ◽  
Wenxin Ji ◽  
Xiangyu Liu ◽  
Liqiong Wang ◽  
Nini Yuan ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Physical Properties ◽  
Density Functional ◽  
Dielectric Constants ◽  
Geometrical Structures ◽  
Functional Theory ◽  
Relative Stabilities ◽  
As Doping ◽  
Quantum Chemistry Calculations ◽  
Heteroatom Substitution

The heterofullerenes C59X (X = B, N, Al, Si, P, Ga, Ge, and As) were investigated by quantum chemistry calculations based on density functional theory. These hybrid cages can be seen as doping the buckminsterfullerene by heteroatom substitution. The geometrical structures, relative stabilities, electronic properties, vibrational frequencies, dielectric constants, and aromaticities of the doped cages were studied systemically and compared with those of the pristine C60cage. It is found that the doped cages with different heteroatoms exhibit various electronic, vibrational, and aromatic properties. These results imply the possibility to modulate the physical properties of these fullerene-based materials by tuning substitution elements.

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