### A Pluto.jl notebook ###
# v0.19.37

using Markdown
using InteractiveUtils

# ╔═╡ 4fc7fda6-423b-48ea-8f86-6718a9050ee0
begin
    import Pkg as _Pkg # hide
    haskey(ENV,"PLUTO_PROJECT") && _Pkg.activate(ENV["PLUTO_PROJECT"]) # hide
    using Revise # hide
    using PlutoUI,HypertextLiteral,UUIDs, Markdown
    using LinearAlgebra
    using LessUnitful
    using VoronoiFVM
    using LiquidElectrolytes
    using ExtendableGrids
    using LessUnitful
    using GridVisualize
    if isdefined(Main,:PlutoRunner)
        using Colors
	using CairoMakie	
	default_plotter!(CairoMakie)
	CairoMakie.activate!(type="svg")
    end
end;

# ╔═╡ 9391dc5a-9249-4719-9347-98c95c80499d
md"""
# DLCap.jl

Comparison of equilibrium results for different flux and equilibrium implementations

[Pluto source](https://raw.githubusercontent.com/j-fu/LiquidElectrolytes.jl/main/notebooks/DLCap.jl)
"""

# ╔═╡ e04f6d4c-144c-4de2-83b4-11190ad0b07d
TableOfContents(aside=false)

# ╔═╡ f5c18bb8-70d5-4cb4-88c8-4333d539d08e
pkgdir(LiquidElectrolytes)

# ╔═╡ 8c4a3420-191d-41e5-abbb-a50f2e16cd1c
begin
	const nm=ufac"nm"
	const V=ufac"V"
	const mol=ufac"mol"
	const dm=ufac"dm"
end;

# ╔═╡ a5193642-e9fc-4b80-a9eb-84f5e1795008
begin
	const molarity=0.01
	const voltages=-1:0.01:1
	const nref=1
	const solvation=10
    celldata = ElectrolyteData(;
                               nc = 2,
                               Γ_we = 1,
                               Γ_bulk = 2)
	
    celldata.c_bulk.=molarity * mol / dm^3
	celldata.κ.=solvation
	celldata
end


# ╔═╡ 4a07ae69-5db0-4868-a0b1-ee4b22e95eb6
grid = let
    hmin = 1.0e-1 * nm * 2.0^(-nref)
    hmax = 1.0 * nm * 2.0^(-nref)
    L = 20.0 * nm
    X = geomspace(0, L, hmin, hmax)
    simplexgrid(X)
end

# ╔═╡ 229ae84b-fcff-4767-b03b-c17b465de57d
gridplot(grid,size=(600,200))

# ╔═╡ 375af0c8-b008-4f8a-9cfb-ba10f2c2787b
    ## Define boundary conditions 
    function bcondition(f,u,bnode,data)
	(;Γ_we,Γ_bulk,ϕ_we) = data
       	iϕ,ip=1,2 
	## Dirichlet ϕ=ϕ_we at Γ_we
	boundary_dirichlet!(f,u,bnode,species=iϕ,region=Γ_we,value=ϕ_we)
	boundary_dirichlet!(f,u,bnode,species=iϕ,region=Γ_bulk,value=data.ϕ_bulk)
	boundary_dirichlet!(f,u,bnode,species=ip,region=Γ_bulk,value=data.p_bulk)
    end


# ╔═╡ 0ba45da2-b5e7-4eb9-ab37-2bcfbe1307f4
pbsys=PBSystem(grid;celldata=deepcopy(celldata),bcondition)

# ╔═╡ 2ad3f1ad-3bc9-4ced-a9d8-11c770f9710f
result=dlcapsweep(pbsys;inival=unknowns(pbsys),iϕ=1,voltages,molarity=molarity*ufac"mol/dm^3")

# ╔═╡ 6b0adcfd-a279-4b58-b029-db07fca60b0f
begin
	ecell=create_equilibrium_system(grid,EquilibriumData(celldata))
    evolts,ecaps=dlcapsweep_equi(ecell;vmax=voltages[end],molarity,δV=1.0e-4,nsteps=101)
end;

# ╔═╡ f57cb1f9-3505-45e1-9524-ba37af47637b
function pnpsweep(scheme) 
	    
    function pnp_bcondition(f,u,bnode,data::ElectrolyteData)
        (; iϕ,Γ_we,ϕ_we) = data
        boundary_dirichlet!(f,u,bnode,species=iϕ,region=Γ_we,value=ϕ_we)
        bulkbcondition(f,u,bnode,data)
    end
    xcelldata=deepcopy(celldata)
	xcelldata.scheme=scheme
	μcell=PNPSystem(grid;bcondition=pnp_bcondition,celldata=xcelldata)
    μresult=dlcapsweep(μcell;voltages,molarity=molarity*ufac"mol/dm^3",δ=1.0e-4)
end;

# ╔═╡ 8e182773-b012-446f-b676-39d96e2ea424
μresult=pnpsweep(:μex)

# ╔═╡ 284acfe8-5c67-4704-b055-78f1acba4d76
aresult=pnpsweep(:act)

# ╔═╡ aaa16bc5-a00d-4172-a91c-04f72a653938
cresult=pnpsweep(:cent)

# ╔═╡ 0ce644b5-4375-4157-8075-c1beac3cb789
myround(x)=round(x,sigdigits=5)

# ╔═╡ ab9fa489-e718-4b2c-8689-cb627fd30593
typeof(md""" abc""")|>supertype

# ╔═╡ 7a93e9a8-8a2d-4b11-84ef-691706c0eb0f
begin
    hrule()=html"""<hr>"""
    highlight(mdstring,color)= htl"""<blockquote style="padding: 10px; background-color: $(color);">$(mdstring)</blockquote>"""
	
    macro important_str(s)	:(highlight(Markdown.parse($s),"#ffcccc")) end
    macro definition_str(s)	:(highlight(Markdown.parse($s),"#ccccff")) end
    macro statement_str(s)	:(highlight(Markdown.parse($s),"#ccffcc")) end
		
		
    html"""
        <style>
         h1{background-color:#dddddd;  padding: 10px;}
         h2{background-color:#e7e7e7;  padding: 10px;}
         h3{background-color:#eeeeee;  padding: 10px;}
         h4{background-color:#f7f7f7;  padding: 10px;}
        
	     pluto-log-dot-sizer  { max-width: 655px;}
         pluto-log-dot.Stdout { background: #002000;
	                            color: #10f080;
                                border: 6px solid #b7b7b7;
                                min-width: 18em;
                                max-height: 300px;
                                width: 675px;
                                    overflow: auto;
 	                           }
	
    </style>
"""
end

# ╔═╡ 5beb3a0d-e57a-4aea-b7a0-59b8ce9ff5ce
hrule()

# ╔═╡ b3b4a9bb-022e-4cd4-8547-b1b3d6176af2
begin

function floataside(text::Markdown.MD;top=1)
	uuid=uuid1()
	@htl("""
		<style>


		@media (min-width: calc(700px + 30px + 300px)) {
			aside.plutoui-aside-wrapper-$(uuid) {

	color: var(--pluto-output-color);
	position:fixed;
	right: 1rem;
	top: $(top)px;
	width: 400px;
	padding: 10px;
	border: 3px solid rgba(0, 0, 0, 0.15);
	border-radius: 10px;
	box-shadow: 0 0 11px 0px #00000010;
	/* That is, viewport minus top minus Live Docs */
	max-height: calc(100vh - 5rem - 56px);
	overflow: auto;
	z-index: 40;
	background-color: var(--main-bg-color);
	transition: transform 300ms cubic-bezier(0.18, 0.89, 0.45, 1.12);

			}
			aside.plutoui-aside-wrapper > div {
#				width: 300px;
			}
		}
		</style>

		<aside class="plutoui-aside-wrapper-$(uuid)">
		<div>
		$(text)
		</div>
		</aside>

		""")
end
floataside(stuff;kwargs...)=floataside(md"""$(stuff)""";kwargs...)
end

# ╔═╡ 222b34e1-8d3c-4143-8826-7b522c19e23c
floataside(let
    vis=GridVisualizer(size=(350,200),legend=:rt)
	scalarplot!(vis,result.voltages,result.dlcaps,color=:red,label="pb")
    
	scalarplot!(vis,evolts,ecaps,color=:green,label="equi",clear=false)	
	scalarplot!(vis,μresult.voltages,μresult.dlcaps,color=:blue,label="μpnp",clear=false)
	scalarplot!(vis,μresult.voltages,aresult.dlcaps,color=:magenta,label="apnp",clear=false)
	scalarplot!(vis,cresult.voltages,cresult.dlcaps,color=:cyan,label="cpnp",clear=false)
	
	reveal(vis)
end, top=200)

# ╔═╡ 948b0ebb-87ee-4c1e-b854-cb13db390934
let
	pb0=findfirst(x->x≈0,result.voltages)
	equi0=findfirst(x->x≈0, evolts)
	pnp0=findfirst(x->x≈0, μresult.voltages)
	
floataside(
	md"""
DLcap0: $(dlcap0(celldata)|>myround), $(dlcap0(EquilibriumData(celldata))|>myround)

DLCapMin(pb,equi,pnp): $(result.dlcaps[pb0]|>myround,ecaps[equi0]|>myround,μresult.dlcaps[pnp0]|>myround))
	
	""",
	
	top=450

)
end


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VoronoiFVM = "82b139dc-5afc-11e9-35da-9b9bdfd336f3"

[compat]
CairoMakie = "~0.11.7"
Colors = "~0.12.10"
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"""

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