Including Cp parameter along side Tm and ΔHfus for sle_solubility

[samuel-zhang01]

Dear developers of Clapeyron.jl,

When I was trying to reproduce literature values for PCSAFT sle_solubility plots, I came across the parameters needed to describe the solid phase interaction SolidHfus. I was wondering if the heat capacity term Cp is used at all in SolidHfus calculations. If not, is it possible to add an additional parameter to better model sle_solubility please?

$$x_i^L=\frac{1}{\gamma_i^L}\exp\left[-\frac{\Delta h_{0i}^{SL}}{RT}\left(1-\frac{T}{T_{0i}^{SL}}\right)-\frac{\Delta c^{SL}_{P,0i}}{R}\left(\frac{T^{SL}_{0i}}{T}-1-\ln{\frac{T^{SL}_{0i}}{T}}\right)\right]$$

--> $\Delta c^{SL}_{P,0i}$

Clapeyron Database File
SolidHfus Like Parameters
species	Mw	Tm	Hfus
paracetamol2009	234.34	341.65	16090
...	...	...	...

Clapeyron Database File
SolidHfus Like Parameters
species	Mw	Tm	Hfus	Cp
paracetamol2009	234.34	341.65	16090	xxx
...	...	...	...	...

best, Sam

[pw0908]

Hi Sam,

We can add this. My only issue is, from what I've seen in the literature is that, in some cases, ΔcpLS can be a function of temperature (even if the solid heat capacity is constant, the liquid heat capacity is definitely a function of temperature...). As such, do we need to account for this temperature dependence? Or is it good enough to approximate it as just being a constant.

Best, Pierre

[pw0908]

@longemen3000 should we just added this as an additional parameter in SolidHfus that we can ignore?

[longemen3000]

seems a good addition to add to SolidHfus, ideally, we should have a way to specify a Cpl(T), but adding this would be the first step towards that

[pw0908]

Cool; Ill quickly make that change before the next update

[pw0908]

This modification is now part of v0.5.7!