Building theoretical model for phase seperation

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SUMMARY

The discussion centers on the theoretical modeling of phase separation involving elements A, B, C, and a fourth element D under extreme conditions of 4000K and 40,000 psi. The participant hypothesizes that a solubility limit exists in the solid phase, leading to a thermodynamically favorable two-phase solid (AB, CD) when D is added. Challenges include the difficulty of reproducing these conditions in a laboratory setting and the lack of existing phase diagrams for the A-B-C-D system. Suggested computational methods include the Bhatnagar–Gross–Krook (BGK) model and high-temperature shock wave interaction computations.

PREREQUISITES
  • Understanding of phase diagrams and phase separation phenomena
  • Familiarity with high-temperature and high-pressure experimental conditions
  • Knowledge of the Bhatnagar–Gross–Krook (BGK) model of the Boltzmann Equation
  • Proficiency in using Pascals as a unit of pressure in scientific literature
NEXT STEPS
  • Research the Bhatnagar–Gross–Krook (BGK) model for applications in phase separation
  • Explore high-temperature shock wave interaction studies in heavy gases
  • Investigate existing literature on phase diagrams for multi-component systems
  • Look into shock tube experiments for simulating extreme temperature and pressure conditions
USEFUL FOR

Researchers, materials scientists, and physicists interested in phase separation, high-temperature materials behavior, and computational modeling of thermodynamic systems.

susdu
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I have three elements, A, B, C, that under certain conditions (rapid heating and cooling)
form one ABC phase solid. Sometimes when I add a fourth element, D, I get two phase (AB,CD) solid.
Obviously this phenomena is thermodynamically favourable. My guess (still undergraduate)
is that there is a solubility limit in the solid phase of these elements in a way that beyond a
certain amount of D, the chemical potential of the ABCD phase is higher than that of two-phase
solid.

I want to offer a model that will explain this phenomena. Problems are:
1. This is a process that occurs in high temperatures and pressure (4000K and 40,000psi in 1 millisecond) so it can't be easily reproduced in the lab.
2. I didn't find any phase diagrams of A-B-C-D and their combinations.
3. Prior research on the subject is almost non existent.

I really don't know where to start. This is not homework, it's a research project I'm interested in.
I'll appreciate any help/direction.
 
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The conditions of your experiment are indeed difficult to reproduce in any laboratory! Some shock tubes for blast wave simulation have been operated at such temperatures and pressures, but are rare and expensive. An overview can be found here:
http://en.wikipedia.org/wiki/Shock_tube

Here a powerful and high pressure system is described:
http://arxiv.org/ftp/arxiv/papers/1105/1105.4670.pdf

Here is one computational method that possibly could be applicable:
“The Bhatnagar–Gross–Krook (BGK) model of the Boltzmann Equation”
http://www.math.ust.hk/~makxu/PAPER/aiaa-shock.pdf

One more computational method:
High temperature shock wave interaction in heavy gases - Computations
Bei Wang, Maryland, Univ., College Park; Harland Glaz, Maryland, Univ., College Park
http://arc.aiaa.org/doi/abs/10.2514/6.1999-3577

May I suggest you use the units “Pascals” for pressure, and not psi? These units are used throughout the literature.
40 000 pound/square inch = 275 790 291.2 pascal, or 275.8 Mpa
 

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