There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

https://www.chem.ccu.edu.tw/~joyce/referance/gump/IL/Chem.%20Rev.%201999,%2099,%202071.pdf

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis

Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...

/pdf/dye-sensitized-solar-cells-50b0w2bhsr.pdf

Dye-Sensitized Solar Cells

The title compound, Ca2+xNd8–x(SiO4)6O2–0.5x (x = 0.49), was synthesized at 1873 K and rapidly quenched to room temperature. Its structure has been determined using single-crystal X-ray diffraction and compared with results reported using neutron and X-ray powder diffraction from samples prepared by slow cooling. The single-crystal structure from room temperature data was found to belong to the space group P63/m and has the composition Ca2.49Nd7.51(SiO4)6O1.75 [dicalcium octa­neodymium hexa­kis­(ortho­silicate) dioxide], being isotypic with natural apatite and the previously reported Ca2Nd8(SiO4)6O2 and Ca2.2Nd7.8(SiO4)6O1.9. The solubility limit of calcium in the equilibrium state at 1873 K was found to occur at a composition of Ca2+xNd8–x(SiO4)6O2–0.5x, where x = 0.49.

Crystal Structure of Apatite Type Ca2.49Nd7.51 (SiO4)6O1.75.

Ionic liquids (ILs) are solvents that consist entirely of ions. Major advantages of these neoteric solvents are their low flammability and low volatility, making them an environmentally friendly alternative for volatile organic solvents. The large variety in possible anion and cation combinations makes the design of an IL for any application feasible. Depending on its composition, the ionic liquid is miscible (hydrophilic) or immiscible (hydrophobic) with water. Currently, hydrophobic ionic liquids are of interest for the separation of molecules by solvent extraction. But, most hydrophobic ionic liquids have fluorinated anions such as the hexafluorophosphate (PF6-) or bis(trifluoromethylsulfonyl) imide (Tf2N-), which are under the inquiry for being too expensive, not hydrolytically stable (in case of PF6-) and persistent in nature. Non-fluorinated ionic liquids are more desirable, the implementation of bromide or chloride, tosylate, mesylate, dialkylphosphates, ... as anions in different functionalized phosphonium, ammonium and imidazolium ionic liquids was achieved. Variations in the alkyl chain length or the incorporation of a functionalized group help establishing the right balance between hydrophobicity and hydrophilicity and an ionic liquid is obtained with temperature dependent miscibility with water. Ionic liquids with both UCST (upper critical solution temperature) and LCST (lower critical solution temperature) phase behavior are known. This means a homogeneous phase is formed, above (UCST) or below (LCST) this critical temperature. In common solvent extraction systems with ionic liquids, often intense mixing and high temperatures are needed because of slow mass transfer arising with the high viscosity of ionic liquids. This problem is circumvented by applying these thermomorphic ionic liquid systems in an innovative technique called homogeneous liquid-liquid extraction (HLLE).1,2 Mixing on a molecular level in the homogeneous phase is achieved, drastically increasing the mass transfer and diffusion in the system. This binary system of IL and water is exploited in the extraction of rare earths. FIG1 LEGEND Temperature-dependent phase behavior of a binary mixture [P444E3][DEHP]-water. The ionic liquid phase was dyed with methyl red to accentuate the phase boundaries. FIG2 LEGEND KEYWORDS ionic liquids | homogeneous liquid-liquid extraction | mutual solubility | phase diagram | rare earths | thermomorphic REFERENCES [1] Vander Hoogerstraete, T.; Onghena, B.; Binnemans, K. Homogeneous Liquid-Liquid Extraction of Metal Ions With a Functionalized Ionic Liquid. J. Phys. Chem. Lett. 2013, 4, 1659-1663. [2] Vander Hoogerstraete, T.; Onghena, B.; Binnemans, K. Homogeneous Liquid-Liquid Extraction of Rare Earths With the Betaine-Betainium Bis(Trifluoromethylsulfonyl)Imide Ionic Liquid System. Int. J. Mol. Sci. 2013, 14, 21353-21377. daphne.depuydt@chem.kuleuven.be

https://lirias.kuleuven.be/bitstream/123456789/503319/1/abstractISGC2015Daphne-647.pdf

Temperature dependent miscibility of non-fluorinated ionic liquids in water

Polycrystalline U3O7 powder was synthesized by oxidation of UO2 powder under controlled conditions using in situ thermal analysis, and by heat treatment in a tubular furnace. The O/U ratio of the U3O7 phase was measured as 2.34 ± 0.01. The crystal structure was assessed from X-ray diffraction (XRD) and selected-area electron diffraction (SAED) data. Similar to U4O9−e (more precisely U64O143), U3O7 exhibits a long-range ordered structure, which is closely related to the fluorite-type arrangement of UO2. Cations remain arranged identical to that in the fluorite structure, and excess anions form distorted cuboctahedral oxygen clusters, which periodically replace the fluorite anion arrangement. The structure can be described in an expanded unit cell containing 15 fluorite-like subcells (U15O35), and spanned by basis vectors A = ap – 2bp, B = −2ap + bp, and C = 3cp (lattice parameters of the subcell are ap = bp = 538.00 ± 0.02 pm and cp = 554.90 ± 0.02 pm; cp/ap = 1.031). The arrangement of cuboctahedra in U3O...

Assessment of the U3O7 Crystal Structure by X‐Ray and Electron Diffraction.

Optimized conditions for the electrogeneration of bromide allow the direct decarboxylation of natural amino acids to give nitriles in good yields.

Decarboxylation of a Wide Range of Amino Acids with Electrogenerated Hypobromite.

La presente invention concerne de nouveaux sels organiques, plus specifiquement des liquides ioniques et les procedes de preparation de tels nouveaux liquides ioniques. L'invention concerne egalement l'utilisation des liquides ioniques dans des applications en chimie, par exemple, dans la solubilisation d'oxydes, d'hydroxydes et de sels metalliques, dans le depot de metaux ou dans des procedures d'extraction, entre autres. L'invention concerne, en outre, un procede de solubilisation d'oxydes metalliques et de sels metalliques, de depot de metaux, le procede s'appliquant aussi a des procedures d'extraction, ceci en utilisant les nouveaux liquides ioniques. La presente invention concerne, en outre, des materiaux obtenus par les presents procedes.

Nouveaux liquides ioniques

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