Merge pull request #18 from ClapeyronThermo/vini/rename

docs and tutorial set up

Project.toml

@@ -6,6 +6,7 @@ version = "0.1.0"
 [deps]
 BlackBoxOptim = "a134a8b2-14d6-55f6-9291-3336d3ab0209"
 CommonSolve = "38540f10-b2f7-11e9-35d8-d573e4eb0ff2"
+DynamicQuantities = "06fc5a27-2a28-4c7c-a15d-362465fb6821"
 ForwardDiff = "f6369f11-7733-5829-9624-2563aa707210"
 Integrals = "de52edbc-65ea-441a-8357-d3a637375a31"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"

docs/Project.toml

@@ -1,4 +1,5 @@
 [deps]
-Langmuir = "c62cc850-d7ca-4cc1-a95b-48008b40dc90"
+DelimitedFiles = "8bb1440f-4735-579b-a4ab-409b98df4dab"
 Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
+Langmuir = "c62cc850-d7ca-4cc1-a95b-48008b40dc90"
 Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"

docs/make.jl

@@ -15,6 +15,7 @@ makedocs(;
     "Home" => "index.md",
     "Background" => "tutorials/background.md",
     "Getting Started" => "tutorials/getting_started.md",
+    "Tutorial" => "tutorials/tutorial.md",
     "Supported models" => "models/models.md",
     "Reference" => "reference.md",
   ],

docs/src/index.md

@@ -4,7 +4,7 @@ CurrentModule = Langmuir
 
 # Langmuir.jl 
 
-Langmuir.jl is a powerful Julia library designed to model adsorption equilibria for both single and multi-component systems.
+Langmuir.jl is a Julia library designed to model adsorption equilibria for both single and multi-component systems.
 
 For single-component adsorption, the library offers a wide range of isotherms, from simple one-parameter models like Henry's law to more complex two- and three-parameter models such as the Langmuir (Single and MultiSite), Freundlich, Temkin, Redlich-Peterson, Toth, and Sips isotherms. These models include temperature-dependent parameters, which are essential for estimating the isosteric heat of adsorption from pressure-loading data sets at varying temperatures. For a complete list of available models, refer to the list of supported models [`supported_models`](@ref).
 

docs/src/tutorials/background.md

@@ -20,7 +20,7 @@ where $Q_st$ is the isosteric heat of the component being adsorbed, $T$ is the t
 
 When the isotherm is of the form $N_i = f(T, P_i)$, one can write:
 
-$Q_{st, i} = -T*(V_g - V_a)*\left( \frac{\frac{\partial N_i}{\partial T}\rvert_P}{\frac{\partial N_i}{\partial P}\rvert_T} \right)$ 
+$Q_{st, i} = -T*(V_g - V_a)*\left( \frac{\frac{\partial N_i}{\partial T}\rvert_P_i}{\frac{\partial N_i}{\partial P}\rvert_T} \right)$ 
 
 
 ## Multi component adsorption
@@ -36,9 +36,9 @@ $\pi = \pi_i = \int_{0}^{P_i^0} \frac{N_i^0(P)}{P}dP$ for $i = 1,...,N_c$
 $\sum_i^{N_c} x_i = 1$ 
 
 
-Combining (1) and (3), the following nonlinear solve is set to:
+Combining the two above equations, the following nonlinear solve is set:
 
-$f(\pi) = 1 - \sum_1^{N_c}\frac{Py_i}{P_i^0\left(\pi\right)}$ = 0 
+$f(\pi) = 1-\sum_1^{N_c}\frac{Py_i}{P_i^0\left(\pi\right)}$ = 0 
 
 
 

docs/src/tutorials/getting_started.md

@@ -59,8 +59,7 @@ Below it is assumed that the ideal gas law is a good approximation to describe t
 
 ```@example lang1
 import Langmuir: Rgas
-Vg = Rgas(isotherm)*300.0./P[2:end]
-ΔH = map(Vg_P -> isosteric_heat(isotherm, first(Vg_P), last(Vg_P), 300.), zip(Vg, P[2:end])) |> x -> round.(x, digits = 7)
+ΔH = map(P -> isosteric_heat(isotherm, P, 300.), P[2:end]) |> x -> round.(x, digits = 7)
 scatter(l_at_300[2:end], ΔH, size = (500, 250),  ylabel = "Isosteric heat (J/mol)", xlabel = "loading (mol/kg)", label = "Estimated isosteric heat with AD")
 plot!([first(l_at_300), last(l_at_300)], [-E, -E], label = "Expected value") 
 ```

docs/src/tutorials/sample_data/ethane_tpl_data.csv

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