diff --git a/module 6/PengRobinson_Et_heat_capacity_fix.ipynb b/module_6/PengRobinson_Et_heat_capacity_fix.ipynb similarity index 100% rename from module 6/PengRobinson_Et_heat_capacity_fix.ipynb rename to module_6/PengRobinson_Et_heat_capacity_fix.ipynb diff --git a/module 6/PengRobinson_Et_throttle_problem.ipynb b/module_6/PengRobinson_Et_throttle_problem.ipynb similarity index 100% rename from module 6/PengRobinson_Et_throttle_problem.ipynb rename to module_6/PengRobinson_Et_throttle_problem.ipynb diff --git a/module 6/PengRobinson_Me_throttle_example.ipynb b/module_6/PengRobinson_Me_throttle_example.ipynb similarity index 100% rename from module 6/PengRobinson_Me_throttle_example.ipynb rename to module_6/PengRobinson_Me_throttle_example.ipynb diff --git a/module 6/Peng_Robinson_EOS.ipynb b/module_6/Peng_Robinson_EOS.ipynb similarity index 69% rename from module 6/Peng_Robinson_EOS.ipynb rename to module_6/Peng_Robinson_EOS.ipynb index c8ae394..dbb104e 100644 --- a/module 6/Peng_Robinson_EOS.ipynb +++ b/module_6/Peng_Robinson_EOS.ipynb @@ -4,48 +4,7 @@ "cell_type": "markdown", "id": "3c29e0e8", "metadata": {}, - "source": [ - "# Generalized Peng-Robinson Equation of State\n", - "\n", - "Routines to calcualte the Generalized Peng-Robinson Equation of State\n", - "\n", - "SIS is Stanley I. Sandler, *Chemical, Biochemcial and Engineering Thermodynamics*, 5th ed.\n", - "\n", - "Eric Furst \n", - "November 2025\n", - "\n", - "The Generalized Peng-Robinson equation of state is\n", - "\n", - "$$ P = \\frac{RT}{\\underline{V}-b} - \\frac{a(T)}{\\underline{V}(\\underline{V}+b) + b(\\underline{V}-b)} \\tag{Eq. 6.4-2}$$\n", - "\n", - "with\n", - "\n", - "$$ b = 0.07780 \\frac{RT_c}{P_c} \\tag{Eq. 6.7-2}$$\n", - "$$ a(T) = a(T_c)\\alpha(T) = 0.45724 \\frac{R^2T_c^2}{P_c}\\alpha(T) \\tag{Eq. 6.7-1}$$\n", - "$$ \\sqrt{\\alpha} = 1 + \\kappa \\left ( 1- \\sqrt{\\frac{T}{T_c}} \\right ) \\tag{Eq. 6.7-3}$$\n", - "$$ \\kappa = 0.37464 + 1.54226\\omega − 0.26992\\omega^2 \\tag{Eq. 6.7-4}$$\n", - "\n", - "The acentric factor $\\omega$ and the crticial temperatures and pressures are given in SIS table 6.6-1.\n", - "\n", - "Calculating the pressure $P$ given $\\underline{V}$ and $T$ is straightforward, but to calculate the molar volume given $P$ and $T$, we need to solve the cubic equation of state of the form\n", - "\n", - "$$ Z^3 + \\alpha Z^2 + \\beta Z + \\gamma = 0 \\tag{Eq. 6.4-4}$$\n", - "\n", - "where $Z$ is the compressibility factor\n", - "\n", - "$$ Z = \\frac{P \\underbar{V{}}}{RT} $$\n", - "\n", - "For the Peng-Robinson EOS (see SIS Table 6.4-3),\n", - "\n", - "$$ \\alpha = -1 + B $$\n", - "$$ \\beta = A - 3B^2 -2B $$\n", - "$$ \\gamma = -AB + B^2 + B^3 $$\n", - "\n", - "and \n", - "\n", - "$$ A = \\frac{aP}{(RT)^2} $$\n", - "$$ B = \\frac{bP}{RT} $$" - ] + "source": "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/url/https%3A%2F%2Flem.che.udel.edu%2Fgit%2Ffurst%2Fthermohub%2Fraw%2Fbranch%2Fmain%2Fmodule_6%2FPeng_Robinson_EOS.ipynb)\n\n# Generalized Peng-Robinson Equation of State\n\nRoutines to calcualte the Generalized Peng-Robinson Equation of State\n\nSIS is Stanley I. Sandler, *Chemical, Biochemcial and Engineering Thermodynamics*, 5th ed.\n\nEric Furst \nNovember 2025\n\nThe Generalized Peng-Robinson equation of state is\n\n$$ P = \\frac{RT}{\\underline{V}-b} - \\frac{a(T)}{\\underline{V}(\\underline{V}+b) + b(\\underline{V}-b)} \\tag{Eq. 6.4-2}$$\n\nwith\n\n$$ b = 0.07780 \\frac{RT_c}{P_c} \\tag{Eq. 6.7-2}$$\n$$ a(T) = a(T_c)\\alpha(T) = 0.45724 \\frac{R^2T_c^2}{P_c}\\alpha(T) \\tag{Eq. 6.7-1}$$\n$$ \\sqrt{\\alpha} = 1 + \\kappa \\left ( 1- \\sqrt{\\frac{T}{T_c}} \\right ) \\tag{Eq. 6.7-3}$$\n$$ \\kappa = 0.37464 + 1.54226\\omega − 0.26992\\omega^2 \\tag{Eq. 6.7-4}$$\n\nThe acentric factor $\\omega$ and the crticial temperatures and pressures are given in SIS table 6.6-1.\n\nCalculating the pressure $P$ given $\\underline{V}$ and $T$ is straightforward, but to calculate the molar volume given $P$ and $T$, we need to solve the cubic equation of state of the form\n\n$$ Z^3 + \\alpha Z^2 + \\beta Z + \\gamma = 0 \\tag{Eq. 6.4-4}$$\n\nwhere $Z$ is the compressibility factor\n\n$$ Z = \\frac{P \\underbar{V{}}}{RT} $$\n\nFor the Peng-Robinson EOS (see SIS Table 6.4-3),\n\n$$ \\alpha = -1 + B $$\n$$ \\beta = A - 3B^2 -2B $$\n$$ \\gamma = -AB + B^2 + B^3 $$\n\nand \n\n$$ A = \\frac{aP}{(RT)^2} $$\n$$ B = \\frac{bP}{RT} $$" }, { "cell_type": "code", @@ -184,4 +143,4 @@ }, "nbformat": 4, "nbformat_minor": 5 -} +} \ No newline at end of file diff --git a/module 6/Peng_Robinson_EOS_isotherms.ipynb b/module_6/Peng_Robinson_EOS_isotherms.ipynb similarity index 100% rename from module 6/Peng_Robinson_EOS_isotherms.ipynb rename to module_6/Peng_Robinson_EOS_isotherms.ipynb diff --git a/module 6/pdf/PengRobinson_Et_heat_capacity_fix.pdf b/module_6/pdf/PengRobinson_Et_heat_capacity_fix.pdf similarity index 100% rename from module 6/pdf/PengRobinson_Et_heat_capacity_fix.pdf rename to module_6/pdf/PengRobinson_Et_heat_capacity_fix.pdf diff --git a/module 6/pdf/PengRobinson_Et_throttle_problem.pdf b/module_6/pdf/PengRobinson_Et_throttle_problem.pdf similarity index 100% rename from module 6/pdf/PengRobinson_Et_throttle_problem.pdf rename to module_6/pdf/PengRobinson_Et_throttle_problem.pdf diff --git a/module 6/pdf/PengRobinson_Me_throttle_example.pdf b/module_6/pdf/PengRobinson_Me_throttle_example.pdf similarity index 100% rename from module 6/pdf/PengRobinson_Me_throttle_example.pdf rename to module_6/pdf/PengRobinson_Me_throttle_example.pdf diff --git a/module 6/pdf/Peng_Robinson_EOS.pdf b/module_6/pdf/Peng_Robinson_EOS.pdf similarity index 100% rename from module 6/pdf/Peng_Robinson_EOS.pdf rename to module_6/pdf/Peng_Robinson_EOS.pdf diff --git a/module 7/CO2_phases.ipynb b/module_7/CO2_phases.ipynb similarity index 100% rename from module 7/CO2_phases.ipynb rename to module_7/CO2_phases.ipynb diff --git a/module 7/N2_phases.ipynb b/module_7/N2_phases.ipynb similarity index 100% rename from module 7/N2_phases.ipynb rename to module_7/N2_phases.ipynb diff --git a/module 7/Peng_Robinson_EOS_isotherms_CO2.ipynb b/module_7/Peng_Robinson_EOS_isotherms_CO2.ipynb similarity index 100% rename from module 7/Peng_Robinson_EOS_isotherms_CO2.ipynb rename to module_7/Peng_Robinson_EOS_isotherms_CO2.ipynb diff --git a/module 7/Problem 4.ipynb b/module_7/Problem 4.ipynb similarity index 100% rename from module 7/Problem 4.ipynb rename to module_7/Problem 4.ipynb diff --git a/module 7/README.md b/module_7/README.md similarity index 100% rename from module 7/README.md rename to module_7/README.md diff --git a/module 7/VLE from fugacity final exam.ipynb b/module_7/VLE from fugacity final exam.ipynb similarity index 100% rename from module 7/VLE from fugacity final exam.ipynb rename to module_7/VLE from fugacity final exam.ipynb diff --git a/module 7/VLE from fugacity.ipynb b/module_7/VLE from fugacity.ipynb similarity index 100% rename from module 7/VLE from fugacity.ipynb rename to module_7/VLE from fugacity.ipynb diff --git a/module 7/pdf/CO2_phases.pdf b/module_7/pdf/CO2_phases.pdf similarity index 100% rename from module 7/pdf/CO2_phases.pdf rename to module_7/pdf/CO2_phases.pdf diff --git a/module 7/pdf/Fig_6.6-1.pdf b/module_7/pdf/Fig_6.6-1.pdf similarity index 100% rename from module 7/pdf/Fig_6.6-1.pdf rename to module_7/pdf/Fig_6.6-1.pdf diff --git a/module 7/pdf/Fig_7.3-1.pdf b/module_7/pdf/Fig_7.3-1.pdf similarity index 100% rename from module 7/pdf/Fig_7.3-1.pdf rename to module_7/pdf/Fig_7.3-1.pdf diff --git a/module 7/pdf/Fig_7.3-2.pdf b/module_7/pdf/Fig_7.3-2.pdf similarity index 100% rename from module 7/pdf/Fig_7.3-2.pdf rename to module_7/pdf/Fig_7.3-2.pdf diff --git a/module 7/pdf/Fig_7.3-3.pdf b/module_7/pdf/Fig_7.3-3.pdf similarity index 100% rename from module 7/pdf/Fig_7.3-3.pdf rename to module_7/pdf/Fig_7.3-3.pdf diff --git a/module 7/pdf/Fig_7.3-4.pdf b/module_7/pdf/Fig_7.3-4.pdf similarity index 100% rename from module 7/pdf/Fig_7.3-4.pdf rename to module_7/pdf/Fig_7.3-4.pdf diff --git a/module 7/pdf/N2_phases.pdf b/module_7/pdf/N2_phases.pdf similarity index 100% rename from module 7/pdf/N2_phases.pdf rename to module_7/pdf/N2_phases.pdf diff --git a/module 7/pdf/Peng_Robinson_EOS_isotherms_CO2.pdf b/module_7/pdf/Peng_Robinson_EOS_isotherms_CO2.pdf similarity index 100% rename from module 7/pdf/Peng_Robinson_EOS_isotherms_CO2.pdf rename to module_7/pdf/Peng_Robinson_EOS_isotherms_CO2.pdf diff --git a/module 7/pdf/VLE from fugacity.pdf b/module_7/pdf/VLE from fugacity.pdf similarity index 100% rename from module 7/pdf/VLE from fugacity.pdf rename to module_7/pdf/VLE from fugacity.pdf diff --git a/module 7/pdf/van_der_waals_EOS.pdf b/module_7/pdf/van_der_waals_EOS.pdf similarity index 100% rename from module 7/pdf/van_der_waals_EOS.pdf rename to module_7/pdf/van_der_waals_EOS.pdf diff --git a/module 7/van_der_waals_EOS.ipynb b/module_7/van_der_waals_EOS.ipynb similarity index 100% rename from module 7/van_der_waals_EOS.ipynb rename to module_7/van_der_waals_EOS.ipynb diff --git a/module 7/vdw_report.tex.j2 b/module_7/vdw_report.tex.j2 similarity index 100% rename from module 7/vdw_report.tex.j2 rename to module_7/vdw_report.tex.j2