Integrated a Fused Silica Capillary Cell and In Situ Raman Spectroscopy for Determining the Solubility of CO2 in n-Decane and n-Decane + n-Hexane System

Molecular dynamics simulations of the surface tension of n-hexane, n- decane and n-hexadecane

The calculation of viscosity of liquid n-decane and n-hexadecane by the Green-Kubo method

This short commentary presents the result of long molecular dynamics simulation calculations of the shear viscosity of liquid n-decane and n-hexadecane using the Green± Kubo integration method. The relaxation time of the stress± stress correlation function is compared with those of rotation and di€ usion. The rotational and di€ usional relaxation times, which are easy to calculate, provide usef...

Electrokinetic detection for X-ray spectra of weakly interacting liquids: n-decane and n-nonane.

The introduction of liquid microjets into soft X-ray absorption spectroscopy enabled the windowless study of liquids by this powerful atom-selective high vacuum methodology. However, weakly interacting liquids produce large vapor backgrounds that strongly perturb the liquid signal. Consequently, solvents (e.g., hydrocarbons, ethers, ketones, etc.) and solutions of central importance in chemistr...

MNDO Study of Nitrogen Atom Inversion in Piperazine, N,N'-Dimethylpiperazine and N,N'-Dichloropiperazine

MNDO semi-empirical SCF MO calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.

On the behavior of solutions of xenon in liquid n-alkanes: solubility of xenon in n-pentane and n-hexane.

The solubility of xenon in liquid n-pentane and n-hexane has been studied experimentally, theoretically, and by computer simulation. Measurements of the solubility are reported for xenon + n-pentane as a function of temperature from 254 to 305 K. The uncertainty in the experimental data is less than 0.15%. The thermodynamic functions of solvation such as the standard Gibbs energy, enthalpy, and...