Page 299 - Handbook Of Multiphase Flow Assurance

298 10. Research methods in flow assurance

TABLE 10.12 Modeling of hydrate-related substances on computers.
Can be modeled well on computers Can't be modeled well on computers
1. Density of water 1. Density of ice under pressure
2. Dynamic structure of liquids 2. Heat of water vaporization
3. Static structure of solids 3. Thermal expansivity
4. Intermolecular energy 4. Isothermal compressibility
5. vdW&P hydrate stability 5. Oscillations of guest in hydrate
6. Dielectric relaxation time 6. Stretching and bending frequencies of CO 2 guest in
hydrate
7. Number of hydrogen bonds 7. Thermodynamic hydrate stability
8. Vibrational spectrum for ice 8. Rates of hydrate formation, nucleation and growth.
9. Heat capacities of ice and hydrate
10. Phase separation
11. Vibrational, librational spectra for water in hydrate
12. Preferred orientations of guest
13. Translational spectra of guest
14. Effect of pressure on hydrate
15. Stability of polar guest hydrate
16. Stability of hydrate with methanol
17. Crystal growth
18. Hydrate structure recovery after restoring pressure
19. Shapes of hydrate single crystals
20. Polymer adsorption on surfaces

3. use molecular modeling to determine the preferred sites of monomer adsorption on
hydrate surface,
4. model the inhibitor adsorption on an active growing site of sI, sII and sH hydrates, and
measure the adsorption properties for different inhibitors (energy, hydrogen bonding,
location, monomer orientation),
5. modify the Monte Carlo computer program written by Prof. Haile to study the
adsorption of polymers on the preferred sites on hydrate determined in item above,
6. develop a correlation between the adsorption properties of hydrate inhibitors,
7. use the computer to predict new, more effective kinetic inhibitors, and.
8. test new inhibitors in single crystal growth studies.