feos
Clapeyron.jl
| feos | Clapeyron.jl | |
|---|---|---|
| 2 | 2 | |
| 100 | 180 | |
| - | 1.7% | |
| 7.8 | 9.8 | |
| 5 days ago | 3 days ago | |
| Rust | Julia | |
| GNU General Public License v3.0 or later | MIT License |
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feos
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How are Equations of State used to calculate thermophysical properties ?
There are other formulations of this, the V,T,Nᵢ is basically the Clapeyron.jl and FeoS formulation. other software that does this, teqp, uses a Vi,T instead, and uses Φ = A/V instead for their base function. (their paper says that it will replace REFPROP, and the author is one of the creators of REFPROP, so his words have weight in that regard).
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Automatic differentiation and thermodynamics with `num-dual` and `feos`
We are happy to announce num-dual and feos, two crates that we've been working on over the last years.
Clapeyron.jl
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How are Equations of State used to calculate thermophysical properties ?
There are other formulations of this, the V,T,Nᵢ is basically the Clapeyron.jl and FeoS formulation. other software that does this, teqp, uses a Vi,T instead, and uses Φ = A/V instead for their base function. (their paper says that it will replace REFPROP, and the author is one of the creators of REFPROP, so his words have weight in that regard).
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What Is a Supercritical Fluid?
i'm working on calculating thermodynamic properties from equations of state [1], and yeah, looking for criteria on how to distinguish from a low pressure, a near critical pressure and a supercritical pressure is not trivial, specially when you don't know the critical point of a fluid (the case for all molecular EoS). one property i've relying on is that the second virial coefficient minimum density is always lower than the saturated gas density.. until a threshold near criticality. a lot of assumptions about a thermodynamic model fail at near-critical points. Understanding and exploiting those properties helps on building more accurate property solvers.
[0] https://github.com/ypaul21/Clapeyron.jl
What are some alternatives?
dwsim - DWSIM is a Steady-State and Dynamic Sequential Modular Chemical Process Simulator for Windows, Linux and macOS.
julia - The Julia Programming Language
num-dual - Generalized (hyper-) dual numbers in rust
DifferentialEquations.jl - Multi-language suite for high-performance solvers of differential equations and scientific machine learning (SciML) components. Ordinary differential equations (ODEs), stochastic differential equations (SDEs), delay differential equations (DDEs), differential-algebraic equations (DAEs), and more in Julia.
teqp - A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation
JuMP.jl - Modeling language for Mathematical Optimization (linear, mixed-integer, conic, semidefinite, nonlinear)
thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
bevy_xpbd - 2D and 3D physics engine based on Extended Position Based Dynamics for Bevy.
StochasticDiffEq.jl - Solvers for stochastic differential equations which connect with the scientific machine learning (SciML) ecosystem
physx-rs - 🎳 Rust binding for NVIDIA PhysX 🦀