Molecular-dynamics simulations of dimethylsulfoxide-methanol mixtures
نویسندگان
چکیده
منابع مشابه
Structure and dynamics of nonaqueous mixtures of dipolar liquids. II. Molecular dynamics simulations
Molecular dynamics simulations have been used to study mixtures of acetone/methanol, acetonitrile/ methanol, and acetone/acetonitrile over their entire composition range. Using the effective pair potentials of the neat liquids, the simulations reproduce much of the experimental spectra presented in the previous paper @D. S. Venables, A. Chiu, and C. A. Schmuttenmaer, J. Chem. Phys. 113, 3243 ~2...
متن کاملDroplet Dynamics Changes in Electrostatic Sprays of Methanol-Water Mixtures
Two-dimensional phase Doppler anemometry measurements have been carried out to determine the size and velocity distributions of electrosprayed droplets generated from methanol-water mixtures. We investigated spraying conditions close to those of electrospray ionization sources. The droplet size and the axial and radial velocity distributions were measured as a function of liquid flow rate, need...
متن کاملMolecular Reorientation of Methanol in Mixtures with Carbon Tetrachloride
Proton and oxygen-17 nmr relaxation rates of C D 3 1 7 O H as well as deuteron nmr relaxation rates of C H 3 O D were measured in mixtures with carbon tetrachloride at different compositions and temperatures. By varying the 1 0-content different contributions to the proton relaxation rate could be separated and from the 1 7 0 H dipolar interaction contribution the correlation time of the O H bo...
متن کاملMolecular Dynamics Simulation of Methanol-Water Mixture
In this study some properties of the methanol-water mixture such as diffusivity, density, viscosity, and hydrogen bonding were calculated at different temperatures and atmospheric pressure using molecular dynamics simulations (MDS). The results were compared with the available experimental data as well as some theoretical models; overall indicating a good agreement. This shows the useful and ef...
متن کاملMolecular dynamics simulations.
Molecular dynamics simulations have become a standard tool for the investigation of biomolecules. Simulations are performed of ever bigger systems using more realistic boundary conditions and better sampling due to longer sampling times. Recently, realistic simulations of systems as complex as transmembrane channels have become feasible. Simulations aid our understanding of biochemical processe...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2005
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2085052