{ "cells": [ { "cell_type": "markdown", "id": "df447d16", "metadata": {}, "source": [ "# Cubic Plus Association (CPA)\n", "\n", "The combination of a cubic EOS with association with the association term. The sum of the terms goes like:\n", "$$\n", "\\alpha^{\\rm r} = \\alpha^{\\rm r}_{\\rm cub} + \\alpha^{\\rm r}_{\\rm assoc}\n", "$$\n", "\n", "## Cubic part\n", "\n", "The residual contribution to $\\alpha$ is expressed as the sum :\n", "$$\n", "\\alpha^{\\rm r}_{\\rm cub,rep} +\\alpha^{\\rm r}_{\\rm cub,att}\n", "$$ where the cubic parts come from\n", "\n", "The repulsive part of the cubic EOS contribution:\n", "$$\n", "\\alpha^{\\rm r}_{\\rm cub,rep} = -\\ln(1 - b_{\\rm mix}\\rho) \n", "$$\n", "The attractive part of the cubic EOS contribution:\n", "$$\n", "\\alpha^{\\rm r}_{\\rm cub,att} = -\\frac{a_{\\rm mix}}{RT}\\dfrac{\\ln\\left(\\frac{\\Delta_1 b_{\\rm mix}\\rho + 1}{\\Delta_2b_{\\rm mix}\\rho + 1}\\right)}{b_{\\rm mix}\\cdot(\\Delta_1 - \\Delta_2)}\n", "$$\n", "with the coefficients depending on the cubic type:\n", "\n", "SRK: $\\Delta_1=1$, $\\Delta_2=0$\n", "\n", "PR: $\\Delta_1=1+\\sqrt{2}$, $\\Delta_2=1-\\sqrt{2}$\n", "\n", "The mixture models used for the $a_{\\rm mix}$ and $b_{\\rm mix}$ are the classical ones:\n", "\n", "$$\n", "a_{\\rm mix} = \\sum_i\\sum_jx_ix_j(1-k_{ij})a_{ij}(T)\n", "$$\n", "with x the mole fraction, $k_{ij}$ a weighting parameter\n", "$$\n", "a_{ij}(T) = \\sqrt{a_ia_j}\n", "$$\n", "and\n", "$$\n", "a_{i}(T) = a_{0i}\\left[1+c_{1i}(1-\\sqrt{T/T_{{\\rm crit},i}})\\right]^2\n", "$$\n", "and for $b$:\n", "$$\n", "b_{\\rm mix} = \\sum_ix_ib_i\n", "$$\n", "so there are three cubic parameters per fluid that need to be obtained though fitting: $b_{i}$, $a_{0i}$, $c_{1i}$. The value of $a_{\\rm ij}$ depends on temperature while $b_{\\rm mix}$ does not.\n", "\n", "## Association part\n", "\n", "For the association, one must have a solid understanding of the association approach that is being applied. To this end, a short discussion of the general approach is required. \n", "\n" ] }, { "cell_type": "code", "execution_count": null, "id": "2180ef67", "metadata": {}, "outputs": [], "source": [] } ], "metadata": { "kernelspec": { "display_name": "Python 3 (ipykernel)", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.11.0" } }, "nbformat": 4, "nbformat_minor": 5 }