diff --git a/doc/source/getting_started/index.rst b/doc/source/getting_started/index.rst index 17d2e03c3fed417a593d5a11b37fad7a3c7786e4..aff4b2ec4e4d5a261081a7d3b6dac92eb0170df2 100644 --- a/doc/source/getting_started/index.rst +++ b/doc/source/getting_started/index.rst @@ -6,7 +6,9 @@ Introduction teqp is a C++-based library with wrappers. It was written because implementing EOS (particularly working out the derivatives) is a painful , error-prone, and slow process. The advent of automatic differentiation makes the implementation of EOS as fast as hand-written derivatives, and much easier to implement without errors. -The documentation is based on the Python wrapper because it can be readily integrated with the documentation tools and can be auto-generated at documentation build time. +There is a paper about teqp: https://doi.org/10.1021/acs.iecr.2c00237 + +The documentation is based on the Python wrapper because it can be readily integrated with the documentation tools (sphinx in this case) and can be auto-generated at documentation build time. Installation ------------ diff --git a/doc/source/models/cubics.ipynb b/doc/source/models/cubics.ipynb index 616e1b37239eae973b1b2158d07d8c90cffd1a7e..feb63f18ff32f48217477faaac057576721fa39f 100644 --- a/doc/source/models/cubics.ipynb +++ b/doc/source/models/cubics.ipynb @@ -7,22 +7,13 @@ "source": [ "# General cubics\n", "\n", - "The reduced residual Helmholtz energy for the main cubic EOS (van der Waals, Peng-Robinson, and Soave-Redlich-Kwong) can be written in a common form:\n", + "The reduced residual Helmholtz energy for the main cubic EOS (van der Waals, Peng-Robinson, and Soave-Redlich-Kwong) can be written in a common form (see https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7365965/)\n", "\n", - "$$ \\begin{equation}\n", - "\\label{eq:alphar_from_psi}\n", - "\\alpha^r = \\psi^{(-)} - \\dfrac{\\tau a_m}{RT_r } \\psi^{(+)}.\n", - "\\end{equation}$$\n", + "$$ \\alpha^r = \\psi^{(-)} - \\dfrac{\\tau a_m}{RT_r } \\psi^{(+)} $$\n", "\n", - "$$ \\begin{eqnarray}\n", - "\\psi^{(-)} &=& \\int_0^\\delta\\dfrac{b_m\\rho_r }{1-b_m\\delta\\rho_r }{\\rm d}\\delta \\label{eq:psiminusintegral}\\\\\n", - " &=&-\\ln(1-b_m\\rho ). \\label{eq:psiminusresult}\n", - "\\end{eqnarray} $$\n", + "$$ \\psi^{(-)} =-\\ln(1-b_m\\rho ) $$\n", "\n", - "$$ \\begin{eqnarray}\n", - "\\psi^{(+)} &=& \\int_0^\\delta \\dfrac{\\rho_r}{\\left(1+\\Delta_1 b_m\\delta\\rho_r \\right)\\left(1+\\Delta_2 b_m\\delta\\rho_r \\right)} {\\rm d}\\delta \\label{eq:psiplusintegral}\\\\\n", - " &=& \\dfrac{\\ln\\left(\\dfrac{\\Delta_1 b_m\\rho+1}{\\Delta_2b_m\\rho+1}\\right)}{b_m(\\Delta_1-\\Delta_2)}\\label{eq:psiplusresult}\n", - "\\end{eqnarray} $$\n", + "$$ \\psi^{(+)} = \\dfrac{\\ln\\left(\\dfrac{\\Delta_1 b_m\\rho+1}{\\Delta_2b_m\\rho+1}\\right)}{b_m(\\Delta_1-\\Delta_2)} $$\n", "\n", "with the constants given by:\n", "\n",