## Ioannis N. Tsimpanogiannis

6 records found

1

## Authored

Available data from experiments and molecular simulations for the intra-diffusivities of H (Formula presented.) and O (Formula presented.) in H (Formula presented.) O, and for the self-diffusivity of pure H (Formula presented.) O (at pressure and temperature conditions in whic ...

In this study, all available data from experiments and molecular simulations for the intra-diffusivities of H_{2} and O_{2} in H_{2}O, and for the self-diffusivity of pure H_{2}O are analyzed to examine the validity of the Stokes-Einstein relati
...

Molecular dynamics simulations are carried out to compute the intradiffusion coefficients of H2 and O2 in H2O for temperatures ranging from 275.15 to 975.15 K and pressures ranging from 0.1 to 200 MPa. These conditions span vapor, liquid, and supercritical conditions. For the ...

The translational self-diffusion coefficient and the shear viscosity of water are related by the fractional Stokes–Einstein relation. We report extensive novel molecular dynamics simulations for the self-diffusion coefficient and the shear viscosity of water. The SPC/E and TIP ...

## Self-diffusion coefficient of bulk and confined water

### A critical review of classical molecular simulation studies

We present a detailed overview of classical molecular simulation studies examining the self-diffusion coefficient of water. The self-diffusion coefficient is directly associated with the calculations of tracer or mutual diffusion coefficient of mixtures and, therefore, is a fu ...

## Using clathrate hydrates for gas storage and gas-mixture separations

### Experimental and computational studies at multiple length scales

Clathrate hydrates have characteristic properties that render them attractive for a number of industrial applications. Of particular interest are the following two cases: (i) the incorporation of large amounts of gas molecules into the solid structure has resulted in consideri ...

## Using clathrate hydrates for gas storage and gas-mixture separations

### Experimental and computational studies at multiple length scales

Clathrate hydrates have characteristic properties that render them attractive for a number of industrial applications. Of particular interest are the following two cases: (i) the incorporation of large amounts of gas molecules into the solid structure has resulted in consideri ...

## Using clathrate hydrates for gas storage and gas-mixture separations

### Experimental and computational studies at multiple length scales

Clathrate hydrates have characteristic properties that render them attractive for a number of industrial applications. Of particular interest are the following two cases: (i) the incorporation of large amounts of gas molecules into the solid structure has resulted in consideri ...