Molecular weight distributions and size fractionations of H-coal liquids

This Paper deals with a comparative study on the use of gel permeation chromatography (g.p.c.) and vapour pressure osmometry (v.p.o.) to obtain molecular weight data for the hexane-soluble fractions of three H-coal liquids. The use of two types of column packing materials, polyvinylacetate and styrene-divinylbenzene copolymer gels, is described. A successful, preparative use of the polyvinylacetate gel to fractionate the hexane-soluble fraction of H-coal liquid, atmospheric still overhead (ASO), has been established. Molecular weight data obtained by v.p.o. for the benzene-soluble fraction and the pyridine-soluble fraction of the three H-coal liquids are reported. Solvent extraction has been utilized also to find the amount of oil, asphaltenes and asphaltols in the three H-coal liquids.     

1-乙基-3-甲基咪唑四氟硼酸盐离子液体结构性质的模拟计算

离子液体以其独特的性质广受关注,被称为"绿色设计者溶剂",人们对其潜在的应用价值做了大量的研究.实验采用HyperChem软件构建了1-乙基-3-甲基咪唑四氟硼酸盐([EMIM][BF4])离子液体分子结构的3D模型,并用PM3法进行预优化,然后应用Gaussian 03w程序分别在RHF/6.31G(d)和BLYP/6-31G(d)计算水平上进行量子化学计算,并经振动频率和强度分析得到理论红外谱图.结果表明,[EMIM][BF4]离子液体的阴阳离子存在着氢键等弱相互作用.     

Viscosity of binary mixtures. I. mono-, di-, and tri-n-butyl and -n-octylamine with cyclohexane

Viscosities for six binary mixtures of n-butylamine, di-n-butylamine, tri-n-butylamine, n-octylamine, di-n-octylamine, and tri-n-octylamine with cyclohexane have been measured at 303.15 K with an Ubbelohde suspendedlevel viscometer. Deviations of viscosities from a rectilinear dependence on mole fraction are attributed to H-bonding and to the size of alkylamine compounds. The application of the Eyring's theory of activation energy is examined. The free volume theory of Prigogine-Flory-Patterson (PFP) and the experimental excess enthalpy have been used to estimate excess viscosity ln = (ln / ₁ ⁰ – x ₂ ln ₂ ⁰ / ₁ ⁰ ) and corresponding free volume, enthalpy, and entropy contributions for five binary mixtures of tri-n-alkylamine: triethyl, tripropyl, tributyl, trihexyl, and trioctylamine with cyclohexane. A comparison of experimental and theoretical excess viscosities indicates a failure of the PFP theory when two components of the mixture differ considerably in size. The size difference contribution to excess viscosity is related to (V ₂ ^*1/2 – V ₁ ^*1/2 ), where V ₁ ^* and V ₂ ^* are hard-core volumes of two components of the mixture.     

Simulation of a liquid-liquid floating interface

The planar interface between two simple liquids interacting with 6-12 LJ potentials was simulated by molecular dynamics at a low temperature. The peculiar physical picture. the new breathing mode, the 2 x 2 matrix of the structure factorsS(k l, and the interfacial dynamic structure factor Slk. ), are reported.Paper presented at the Twelfth Symposium on Thermophysical Properties, June 19–24, 1994, Boulder, Colorado, U.S.A.     

An improved correlation for the calculation of liquid thermal conductivity

Eighteen correlations appearing in the literature for the prediction of thermal conductivity, , of liquids are critically analyzed, and their reliability is checked using coherent input data and selected experimental values. The best results are obtained using the Reid, Sherwood, and Prausnitz correlation with a mean deviation of about 8% between predicted and experimental values. An improved correlation is proposed starting from the Viswanath equation, chosen because of its simplicity and convenience. The values of thermal conductivity obtained by this new correlation agree with the experimental values within 1%.     

Physical Properties of Vegetable Oil and Chlorinated Ethene Mixtures

Laboratory experiments were conducted to investigate the abiotic interactions of soybean oil (SoyOil) and chlorinated ethene (CE) nonaqueous phase liquids (NAPLs). The mixed NAPL density and interfacial tension behaved ideally, as predicted by the volume ratio. The mixed NAPL viscosity increased exponentially from that of the pure CE to that of pure SoyOil as the volume fraction increased. The measured contact angle was highly variable and was unpredictable as a function of the volume composition of the mixed NAPL. The physical property effects indicate that the mobilization of residual CE NAPLs because of SoyOil injection is unlikely. Equilibrium dissolution of CEs from the NAPL mixtures behaved linearly as a function of the mole fraction. Dissolved SoyOil in simulated groundwater enhanced the dissolution of trichloroethene (TCE) during flow tests, increasing the effluent TCE concentration from 141?to?202?mg/L. The ready intermingling of the CE dense nonaqueous phase liquids (DNAPLs) and SoyOil indicate that such interactions may be significant at sites where vegetable oil is injected into DNAPL source areas to enhance in situ anaerobic bioremediation.