Building theoretical model for phase seperation

In summary, there is a phenomena where under certain conditions (rapid heating and cooling), elements A, B, and C can form an ABC phase solid. When a fourth element, D, is added, it can result in a two-phase (AB,CD) solid which is thermodynamically favourable. This may be due to a solubility limit in the solid phase for these elements. However, studying this phenomena is challenging due to the high temperatures and pressures required, and the lack of available phase diagrams and prior research. Some computational methods and rare experimental setups may be applicable for further study.
  • #1
susdu
24
0
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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  • #2
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
 

1. What is a theoretical model for phase separation?

A theoretical model for phase separation is a mathematical representation that describes the behavior of a system as it undergoes phase separation, where two or more distinct phases form from a single homogeneous phase.

2. Why is it important to build a theoretical model for phase separation?

Building a theoretical model for phase separation allows scientists to understand and predict the behavior of a system undergoing phase separation, which can have practical applications in various fields such as materials science, chemistry, and physics.

3. What factors are taken into account when building a theoretical model for phase separation?

Factors such as the composition and properties of the system, thermodynamic parameters, and interactions between the different phases are considered when building a theoretical model for phase separation.

4. How is a theoretical model for phase separation validated?

A theoretical model for phase separation is typically validated by comparing its predictions to experimental data or by using computer simulations to observe the behavior of the system.

5. Can a theoretical model for phase separation be applied to different systems?

Yes, a theoretical model for phase separation can be applied to various systems, as long as the underlying principles and factors remain consistent. However, the specific parameters and equations used may need to be adjusted accordingly.

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