Volumetric Properties, Viscosities, and Refractive Indices of the Binary Systems 1-Butanol + PEG 200, + PEG 400, and + TEGDME

Densities, viscosities, and refractive indices of three binary systems consisting of 1-butanol with polyethylene glycols of different molecular weights (PEG 200 and PEG 400) or tetraethylene glycol dimethyl ether (TEGDME) were measured at ten temperatures (288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, 323.15, 328.15, and 333.15) K and atmospheric pressure. Densities of the selected binary mixtures were measured with an Anton Paar DMA 5000 digital vibrating U-tube densimeter, refractive indices were measured with an automatic Anton Paar RXA-156 refractometer, while for viscosity measurements, a digital Stabinger SVM 3000/G2 viscometer was used. From these data, excess molar volumes were calculated and fitted to the Redlich–Kister equation. The obtained results have been analyzed in terms of specific molecular interactions and mixing behavior between mixture components, as well as the influence of temperature on them. Viscosity data were also correlated by Grunberg–Nissan, Eyring–UNIQUAC, three-body McAlister, and Eyring–NRTL models.     

Volumetric and Acoustic Properties of the Ternary Mixture 1-Butanol+1-Chlorobutane+Tetrahydrofuran at 283.15, 298.15, and 313.15 K

Experimental densities () and speeds of sound (u) were obtained for the ternary system (1-butanol+1-chlorobutane+tetrahydrofuran) at three temperatures: 283.15, 298.15, and 313.15 K. Excess molar volumes (V ^E ) and isentropic compressibility deviations ( _S ) have been calculated from experimental data. A discussion of the thermodynamic behavior of the ternary system with temperature variation is presented.     

Isobaric Vapor–Liquid Equilibria of 1-Butanol–p-Xylene System

Isobaric vapor–liquid equilibrium data were obtained for 1-butanol–p-xylene system at 97.3 kPa using a vapor recirculating type (modified Othmer’s) equilibrium still. The activity coefficients were obtained by taking into consideration vapor-phase imperfections. The experimental data for this system were tested for thermodynamic consistency and were correlated by various equations. The system forms a minimum boiling azeotrope.Paper presented at the Seventh Asian Thermophysical Properties Conference, August 23–28, 2004, Hefei and Huangshan, Anhui, P. R. China.     

Enhancement of the Skin Permeation of Clindamycin Phosphate by Aerosol OT/1-Butanol Microemulsions

Microemulsions of water/isopropyl palmitate (IPP)/Aerosol OT (AOT)/1-butanol were developed as alternative formulations for topical delivery of clindamycin phosphate. Effect of AOT:1-butanol ratios on microemulsion region existence in the pseudoternary phase diagrams was investigated. The 2:1 AOT:1-butanol provided the largest microemulsion region. Five microemulsions of 1% w/w clindamycin phosphate were prepared and characterized. The permeation through human epidermis of the microemulsions was evaluated and compared with the 70% isopropanol solution using modified Franz diffusion cells. The drug permeation from all microemulsions was found to be significantly greater than that from the solution, indicating the enhancement of the skin permeation by the microemulsions. Within the same microemulsion type, the drug permeation increased with increasing the amount of AOT:1-butanol. The drug permeation from oil-in-water (o/w) microemulsions was relatively higher than that from water-in-oil (w/o) microemulsions. In addition, all microemulsions were stable for at least three months at 30 ± 1°C.     

Densities, Sound Speeds, Excess Volumes, and Excess Isentropic Compressibilities of Methyl Acrylate + 1-Propanol (or 1-Butanol) + Hydrocarbons(n-Hexane, n-Heptane, Cyclohexane, Benzene, and Toluene) at 308.15 K

Densities and sound speeds of ten ternary mixtures of methyl acrylate (1)+1-propanol (2) or 1-butanol (2)+n-hexane (3), +n-heptane (3), +cyclohexane (3), +benzene (3), and +toluene (3) have been measured at 308.15 K. The excess volumes, V ^E , and excess isentropic compressibilities, ^E _s , have been estimated. These two experimentally derived excess functions were also compared with those predicted by empirical equations of Redlich–Kister, Kohler, and Tsao–Smith. A qualitative analysis of V ^E and ^E _s data of ternary mixtures reveals that in MA (1)+1-alcohols (2)+n-hexane (3), +n-heptane (3), and +cyclohexane (3), structure disruptions are more predominant while in MA (1)+1-alcohols (2)+benzene (3) or +toluene (3) mixtures, the weak but specific structure making interactions dominate. A perusal of deviations between the experimental and calculated V ^E and ^E _s results shows that the predictive expressions give only a rough estimate of the functions for the ten studied mixtures.     

Structural transformations, reactions, and electronic properties of fullerenes, onions, and buckytubes

We describe the results of extensive quantum molecular dynamics calculations of the properties of fullerenes and microtubules. The topics to be discussed include: (i) stability of C₆₀ isomers and barriers to isomerization; (ii) reactivity of C₆₀ and C₅₈ with C₂ and C₃, and its implications on the formation and growth of fullerenes; and (iii) atomic and electronic structure and doping of semiconducting microtubules. We also discuss the structures, stabilities and atomic transformations of large multishell fullerenes and offer an explanation for the formation of spheroidal “onions” under high fluence electron irradiation conditions. The last results, which involved calculations for up to 15 000 atoms, were obtained using classical three-body potentials.     

Preparation and Properties of Sodium, Potassium, Magnesium, Calcium, and Aluminum Terephthalates

Group I–III terephthalates were prepared: KOOCC₆H₄COOH, NaOOCC₆H₄COOH, NaOOCC₆H₄COONa, Mg(OOCC₆H₄COO) · 2H₂O, Ca(OOCC₆H₄COO) · 3H₂O, and Al₂(OOCC₆H₄COO)₃ · 8H₂O. The salts were characterized by differential thermal analysis and IR spectroscopy. The results demonstrate that the thermal decomposition of the terephthalates yields metal carbonates or oxides. On heating to 1000°C, aluminum terephthalate converts into submicron-sized -alumina particles.     

Synthesis and structure of dodecamolybdates of tetravalent cerium,thorium, uranium,neptunium, and plutonium

A series of isostructural compounds of the composition Na₇H[EMo₁₂O₄₂]·12H₂O, where E(IV) = Ce, Th, U, Np, or Pu, were synthesized and structurally characterized. In the [EMo₁₂O₄₂]^8– heteropolyanion (HPA), the central E(IV) atom is surrounded by six Mo₂O₉ groups, each constituted by two octahedra sharing a common face. The coordination polyhedron (CP) of the central atom is a weakly distorted icosahedron with the mean E(IV)–О bond lengths of 2.498, 2.529, 2.500, 2.490, and 2.488 Å for Ce, Th, U, Np, and Pu, respectively. In the structure of the compounds Na₇H[EMo₁₂O₄₂]·12H₂O, there are two crystallographically independent sodium atoms: Na(1) and Na(2). The oxygen surrounding of the Na(1) atom is formed by the terminal oxygen atoms of two heteropolyanions adjacent along [001], and its coordination polyhedron is an octahedron. The surrounding of the Na(2) atom (a six-vertex polyhedron) is formed by three terminal oxygen atoms of three Mo₂O₉ groups belonging to the same HPA and by three water molecules. The coordination polyhedra of the Na(2) atoms are linked with each other via common oxygen atoms of O_w(2) water molecules to form a chain “winding” around the 3₁ screw axis. The heteropolyanions and Na⁺ cations in the crystal form a framework constructed in a fashion characteristic of Dexter–Silverton type anions, with the coordination via three terminal oxygen atoms of three Mo₂O₉ groups. Excess negative charge of HPA is compensated by the proton localized on one of the six bridging O atoms. In the Mo₂O₉ doubled octahedra, the Mo–O bonds with the О atoms bonded to E(IV) and forming the edge of the common face are sensitive to the kind of the central atom.     

Autonomy, security, and inequality: China, India, the United States, and the globalization of science and technology

Perhaps no three countries have benefited from the globalization of science and technology (S&T) more than India, China, and the United States. All three have leveraged the growing internationalization of innovation to offset weaknesses in their own national innovation systems. Still, globalization raises critical questions of autonomy, security, and equality, and in turn the political struggle over these three issues shapes the pace and scope of the globalization of S&T. Significant deterioration on any one of these criterion could lead to substantially less support among policy makers and the public for the globally networked system of innovation that appears to be emerging.     

Elastic, structural, bonding, and defect properties of zinc-blende BN, AlN, GaN, InN and their alloys

Simple tight-binding simulations, incorporating only the Herman–Skillman atomic term values, are shown to provide valuable information about the bonding, elastic and structural properties of zinc-blende group III-nitrides. Our calculated values of the elastic parameters (viz., bulk modulus, elastic stiffness constants, Kleinman's internal displacement parameter, Keating force constants, etc.) for BN, AlN, GaN, and InN are shown to exist well within the range of values derived from more sophisticated methods. Despite the crude approximations used, the tight-binding method has clearly provided the meaningful trends to the local distortions around isoelectronic impurities and has described reasonably well the bond length variations as a function of composition in ternary alloys.     

Modeling the release, spreading, and burning of LNG, LPG, and gasoline on water

Current interest in the shipment of liquefied natural gas (LNG) has renewed the debate about the safety of shipping large volumes of flammable fuels. The size of a spreading pool following a release of LNG from an LNG tank ship has been the subject of numerous papers and studies dating back to the mid-1970s. Several papers have presented idealized views of how the LNG would be released and spread across a quiescent water surface. There is a considerable amount of publicly available material describing these idealized releases, but little discussion of how other flammable fuels would behave if released from similar sized ships. The purpose of this paper is to determine whether the models currently available from the United States Federal Energy Regulatory Commission (FERC) can be used to simulate the release, spreading, vaporization, and pool fire impacts for materials other than LNG, and if so, identify which material-specific parameters are required.

The review of the basic equations and principles in FERC's LNG release, spreading, and burning models did not reveal a critical fault that would prevent their use in evaluating the consequences of other flammable fluid releases. With the correct physical data, the models can be used with the same level of confidence for materials such as LPG and gasoline as they are for LNG.     

Optical properties of the metals Al, Co, Cu, Au, Fe, Pb, Ni, Pd, Pt, Ag, Ti, and W in the infrared and far infrared

Infrared optical constants collected from the literature are tabulated. The data for the noble metals and Al, Pb, and W can be reasonably fit using the Drude model. It is shown that -epsilon1(omega) = epsilon2(omega) approximately omega(2)(p)/(2omega(2)(tau)) at the damping frequency omega = omega(tau). Also -epsilon1(omega(tau)) approximately - (1/2) epsilon1(0), where the plasma frequency is omega(p).     

The vapor pressure of indium,silver, gallium,copper, tin,and gold between 0.1 and 3.0 bar

The vapor pressure of several liquid metals was measured using a method based on the gas-controlled heat pipe. Small samples of the test material were placed in a tungsten tube and heated to temperatures above 2900 K. The vapor pressure was measured using a gas-buffered pressure transducer and the vapor temperature was inferred from the tube surface temperature, which was measured with an optical pyrometer. Most of the tests were terminated by the failure of the containment tube. The measured pressures agree well with those calculated by thermodynamic methods from data at lower temperatures.     

Solubilities of ethylene,ethane, and carbon dioxide in mixed solvents consisting of methanol,acetone, and water

The amount of gas absorbed in a liquid solvent or solvent mixture is measured with a high-precision gas burette. Solubility coefficients (Henry and Ostwald coefficients) of C₂H₄ and C₂H₆ are determined at ambient temperature and atmospheric pressure (1) in the pure solvents C₃H₆O, CH₃OH, and H₂O; (2) in the three binary mixtures of the solvents as a function of the composition of the solvent mixture; and (3) in several ternary mixtures of arbitrary composition. The experimental data are presented in diagrams and tables.Paper presented at the Ninth Symposium on Thermophysical Properties, June 24–27, 1985, Boulder, Colorado, U.S.A.     

Degradability and Clearance of Silicon,Organosilica, Silsesquioxane,Silica Mixed Oxide,and Mesoporous Silica Nanoparticles

The biorelated degradability and clearance of siliceous nanomaterials have been questioned worldwide, since they are crucial prerequisites for the successful translation in clinics. Typically, the degradability and biocompatibility of mesoporous silica nanoparticles (MSNs) have been an ongoing discussion in research circles. The reason for such a concern is that approved pharmaceutical products must not accumulate in the human body, to prevent severe and unpredictable side‐effects. Here, the biorelated degradability and clearance of silicon and silica nanoparticles (NPs) are comprehensively summarized. The influence of the size, morphology, surface area, pore size, and surface functional groups, to name a few, on the degradability of silicon and silica NPs is described. The noncovalent organic doping of silica and the covalent incorporation of either hydrolytically stable or redox‐ and enzymatically cleavable silsesquioxanes is then described for organosilica, bridged silsesquioxane (BS), and periodic mesoporous organosilica (PMO) NPs. Inorganically doped silica particles such as calcium‐, iron‐, manganese‐, and zirconium‐doped NPs, also have radically different hydrolytic stabilities. To conclude, the degradability and clearance timelines of various siliceous nanomaterials are compared and it is highlighted that researchers can select a specific nanomaterial in this large family according to the targeted applications and the required clearance kinetics.     

Densities,Viscosities, and Refractive Indices of Mixtures of Hexane with Cyclohexane,Decane, Hexadecane,and Squalane at 298.15 K

Densities, ρ, viscosities, η, and refractive indices, n_D, have been measured as a function of composition for binary mixtures of cyclohexane, decane, hexadecane, and squalane with hexane at 298.15 K and atmospheric pressure. From these measurements the excess molar volumes, V_m^E, viscosity deviations, δη, and the change in refractive indices on mixing, Δn_D, were calculated. These results were fitted to Redlick–Kister polynomial equations to estimate the binary coefficients and standard errors. The effects of size and shape of the components on excess properties have been discussed.