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Updated a few melting lines

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Signed-off-by: Ian Bell <ian.h.bell@gmail.com>
This commit is contained in:
Ian Bell
2014-06-09 18:44:10 +02:00
parent 64946e6017
commit 1fd88a8087
12 changed files with 118 additions and 18 deletions
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2
dev/fluids/CarbonMonoxide.json
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@@ -6,7 +6,7 @@
"ANCILLARIES": {
"melting_line": {
"BibTeX": "Barreiros-JCT-1982",
"T_m": 81.63,
"T_m": 68.3,
"parts": [
{
"T_0": 1,

2
dev/fluids/Ethane.json
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@@ -6,7 +6,7 @@
"ANCILLARIES": {
"melting_line": {
"BibTeX": "Buecker-JCRD-2006",
"T_m": 184.6,
"T_m": 90.4,
"parts": [
{
"T_0": 90.368,

2
dev/fluids/Fluorine.json
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@@ -6,7 +6,7 @@
"ANCILLARIES": {
"melting_line": {
"BibTeX": "deReuck-BOOK-1990",
"T_m": 85.2,
"T_m": 53.15,
"parts": [
{
"T_0": 53.4811,

15
dev/fluids/Helium.json
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@@ -5,6 +5,21 @@
"He"
],
"ANCILLARIES": {
"melting_line": {
"BibTeX": "Datchi-PRB-2000",
"T_m": 1.15,
"parts": [
{
"T_0": 1,
"T_max": 700,
"T_min": 2.1768,
"a": 1606700.0,
"c": 1.565,
"p_0": -1606700.0
}
],
"type": "Simon"
},
"pL": {
"T_r": 5.1953,
"Tmax": 5.195299999999987,

15
dev/fluids/Hydrogen.json
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@@ -6,6 +6,21 @@
"R702"
],
"ANCILLARIES": {
"melting_line": {
"BibTeX": "Datchi-PRB-2000",
"T_m": 14.009985,
"parts": [
{
"T_0": 1,
"T_max": 700,
"T_min": 13.957,
"a": 231000.0,
"c": 1.7627,
"p_0": -236200.0
}
],
"type": "Simon"
},
"pL": {
"T_r": 33.145,
"Tmax": 33.144999999999925,

2
dev/fluids/IsoButane.json
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@@ -9,7 +9,7 @@
"ANCILLARIES": {
"melting_line": {
"BibTeX": "Buecker-JPCRD-2006B",
"T_m": 262,
"T_m": 113.55,
"parts": [
{
"T_0": 113.73,

2
dev/fluids/Methane.json
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@@ -11,7 +11,7 @@
"parts": [
{
"T_0": 90.6941,
"T_max": 700,
"T_max": 600,
"T_min": 90.6941,
"a": 208000000.0,
"c": 1.698,

15
dev/fluids/Neon.json
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@@ -4,6 +4,21 @@
"NEON"
],
"ANCILLARIES": {
"melting_line": {
"BibTeX": "SantamariaPerez-PRB-2010",
"T_m": -1,
"parts": [
{
"T_0": 24.4,
"T_max": 700,
"T_min": 24.56,
"a": 1700000000.0,
"c": 1.2987012987012987,
"p_0": 101325
}
],
"type": "Simon"
},
"pL": {
"T_r": 44.4918,
"Tmax": 44.49179999999988,

2
dev/fluids/Oxygen.json
View File

@@ -7,7 +7,7 @@
"ANCILLARIES": {
"melting_line": {
"BibTeX": "Younglove-NIST-1982",
"T_m": 90.2,
"T_m": 54.75,
"parts": [
{
"T_0": 1,

63
dev/inject_melting_curves.py
View File

@@ -25,17 +25,26 @@ Simon_curves = {
"BibTeX" : "Michels-PHYSICA-1962", "T_m": 165.02, "parts": [{"T_0" : 1, "a" : 80890.5544859, "c" : 1.5891650, "p_0" : -260932309.446, "T_max" : 366.4}]
},
"CarbonMonoxide" : {
"BibTeX" : "Barreiros-JCT-1982", "T_m": 81.63, "parts": [{"T_0" : 1, "a" : 19560.8, "c" : 2.10747, "p_0" : -142921439.2, "T_max" : 87.5}]
"BibTeX" : "Barreiros-JCT-1982", "T_m": 68.3, "parts": [{"T_0" : 1, "a" : 19560.8, "c" : 2.10747, "p_0" : -142921439.2, "T_max" : 87.5}]
},
"Oxygen": {
"BibTeX" : "Younglove-NIST-1982", "T_m": 90.2, "parts": [{"T_0" : 1, "a" : 227606.348, "c" : 1.769, "p_0" : -266999247.652, "T_max" : 63.1}]
"BibTeX" : "Younglove-NIST-1982", "T_m": 54.75, "parts": [{"T_0" : 1, "a" : 227606.348, "c" : 1.769, "p_0" : -266999247.652, "T_max" : 63.1}]
},
"ParaHydrogen": {
"BibTeX" : "Younglove-NIST-1982", "T_m": 18.9, "parts": [{"T_0" : 1, "a" : 125746.643, "c" : 1.955, "p_0" : -21155737.752, "T_min" : 13.8033, "T_max" : 22},
{"T_0" : 1, "a" : 248578.596, "c" : 1.764739, "p_0" : -26280332.904, "T_min" : 22, "T_max" : 164.5}]
},
"Methane": {
"BibTeX" : "Abramson-HPR-2011", "T_m": 90.7, "parts": [{"T_0" : 90.6941, "a" : 0.208e9, "c" : 1.698, "p_0" : 1.17e4, "T_max" : 700}]
"BibTeX" : "Abramson-HPR-2011", "T_m": 90.7, "parts": [{"T_0" : 90.6941, "a" : 0.208e9, "c" : 1.698, "p_0" : 1.17e4, "T_max" : 600}]
},
"Helium": {
"BibTeX" : "Datchi-PRB-2000", "T_m": 1.15, "parts": [{"T_0" : 1, "a" : 1.6067e6, "c" : 1.565, "p_0" : -1.6067e6, "T_max" : 700}]
},
"Neon": {
"BibTeX" : "SantamariaPerez-PRB-2010", "T_m": -1, "parts": [{"T_0" : 24.4, "a" : 1.7e9, "c" : 1/0.77, "p_0" : 101325, "T_max" : 700}]
},
"Hydrogen": {
"BibTeX" : "Datchi-PRB-2000", "T_m": 14.009985, "parts": [{"T_0" : 1, "a" : 2.31e5, "c" : 1.7627, "p_0" : -0.0052e6-2.31e5, "T_max" : 700}]
}
}
@@ -44,16 +53,16 @@ polynomial_in_Tr = {
"BibTeX" : "Tegeler-JPCRD-1999", "T_m": 87.28, "parts": [{"T_0" : 83.8058, "a" : [-7476.2665, 9959.0613], "t" : [1.05,1.275], "p_0" : 68891, "T_max" : 254.0}]
},
"Fluorine" : {
"BibTeX" : "deReuck-BOOK-1990", "T_m": 85.2, "parts": [{"T_0" : 53.4811, "a" : [988043.478261], "t" : [2.1845], "p_0" : 252, "T_max" : 55.4}]
"BibTeX" : "deReuck-BOOK-1990", "T_m": 53.15, "parts": [{"T_0" : 53.4811, "a" : [988043.478261], "t" : [2.1845], "p_0" : 252, "T_max" : 55.4}]
},
"Nitrogen" : {
"BibTeX" : "Span-JPCRD-2000", "T_m": 77.34, "parts": [{"T_0" : 63.151, "a" : [12798.61], "t" : [1.78963], "p_0" : 12523, "T_max" : 283.8}]
},
"Ethane" : {
"BibTeX" : "Buecker-JCRD-2006", "T_m": 184.6, "parts": [{"T_0" : 90.368, "a" : [2.23626315e8, 1.05262374e8], "t" : [1.0, 2.55], "p_0" : 1.14, "T_max" : 110.2}]
"BibTeX" : "Buecker-JCRD-2006", "T_m": 90.4, "parts": [{"T_0" : 90.368, "a" : [2.23626315e8, 1.05262374e8], "t" : [1.0, 2.55], "p_0" : 1.14, "T_max" : 110.2}]
},
"Isobutane" : {
"BibTeX" : "Buecker-JPCRD-2006B", "T_m": 262, "parts": [{"T_0" : 113.73, "a" : [1.9536371309e9], "t" : [6.12], "p_0" : 0.0219, "T_max" : 124.9}]
"BibTeX" : "Buecker-JPCRD-2006B", "T_m": 113.55, "parts": [{"T_0" : 113.73, "a" : [1.9536371309e9], "t" : [6.12], "p_0" : 0.0219, "T_max" : 124.9}]
},
"Ethylene" : {
"BibTeX" : "Smukala-JPCRD-2000", "T_m": 169, "parts": [{"T_0" : 103.989, "a" : [2947001.84], "t" : [2.045], "p_0" : 122.65, "T_min" : 103.989, "T_max" : 110.369},
@@ -117,7 +126,6 @@ def plot_rho(T, rho, fit = False):
def simon():
global ip, irho
for fluid, values in Simon_curves.iteritems():
axp = figp.add_subplot(Nrow, Ncol, ip); ip += 1
axrho = figrho.add_subplot(Nrow, Ncol, irho); irho += 1
@@ -125,7 +133,7 @@ def simon():
axp.set_ylabel('p [Pa]')
axrho.set_xlabel('T [K]')
axrho.set_ylabel('rho [mol/m$^3$]')
axp.set_title(fluid)
axp.set_title(fluid+' - '+str(round(CP.Props(fluid,"molemass"),2)))
axrho.set_title(fluid)
fname = os.path.join('fluids',fluid+'.json')
@@ -155,6 +163,7 @@ def simon():
# x,y = plot_rho(df['T'],df['rho'],fit = True)
# axrho.plot(x,y, 'o', mfc='none')
T_m = values['T_m']
for i, value in enumerate(values['parts']):
Tmin = value.get('T_min',CP.Props(fluid,"Tmin"))
@@ -169,6 +178,20 @@ def simon():
p = p_0 + a*((T/T_0)**c - 1)
axp.plot(T, p)
cc = 1.75
aa = 3e8#(101325-p_0)/((T_m/T_0)**cc-1)
pt = CP.Props(fluid,'ptriple')
pp = pt + aa*((T/Tmin)**cc - 1)
axp.plot(T_m,101325,'*')
axp.plot(T,pp,'--')
print fluid, CP.Props(fluid,"molemass"), CP.Props(fluid, 'accentric'), pp[-1]/p[-1]-1
# if fluid == 'Helium':
# T = np.array([326.2,345.1,362.8,385.1,419.4,459,499,535.7,570,608])
# p = p_0 + a*((T/T_0)**c - 1)
# print p
def Tr():
global ip, irho
@@ -180,7 +203,7 @@ def Tr():
axp.set_ylabel('p [Pa]')
axrho.set_xlabel('T [K]')
axrho.set_ylabel('rho [mol/m$^3$]')
axp.set_title(fluid)
axp.set_title(fluid+' - '+str(round(CP.Props(fluid,"molemass"),2)))
axrho.set_title(fluid)
fname = os.path.join('fluids',fluid+'.json')
@@ -217,6 +240,7 @@ def Tr():
# x,y = plot_rho(df['T'],df['rho'],fit = True)
# axrho.plot(x,y, 'o', mfc='none')
T_m = values['T_m']
for i,value in enumerate(values['parts']):
Tmin = value.get('T_min',CP.Props(fluid,"Tmin"))
@@ -235,6 +259,15 @@ def Tr():
p = p_t*(RHS + 1)
axp.plot(T, p)
cc = 1.75
aa = 3e8#(101325-p_0)/((T_m/T_0)**cc-1)
pt = CP.Props(fluid,'ptriple')
pp = pt + aa*((T/Tmin)**cc - 1)
axp.plot(T_m,101325,'*')
axp.plot(T,pp,'--')
print fluid, CP.Props(fluid,"molemass"), CP.Props(fluid, 'accentric'), pp[-1]/p[-1]-1
def theta():
@@ -247,7 +280,7 @@ def theta():
axp.set_ylabel('p [Pa]')
axrho.set_xlabel('T [K]')
axrho.set_ylabel('rho [mol/m$^3$]')
axp.set_title(fluid)
axp.set_title(fluid+' - '+str(round(CP.Props(fluid,"molemass"),2)))
axrho.set_title(fluid)
fname = os.path.join('fluids',fluid+'.json')
@@ -264,6 +297,7 @@ def theta():
fp.write(json.dumps(j,**json_options))
fp.close()
T_m = values['T_m']
for value in values['parts']:
a = value['a']
@@ -289,6 +323,15 @@ def theta():
#x,y = plot_rho(df['T'],df['rho'],fit = True)
#axrho.plot(x,y, 'o', mfc='none')
cc = 1.75
aa = 3e8#(101325-p_0)/((T_m/T_0)**cc-1)
pt = CP.Props(fluid,'ptriple')
pp = pt + aa*((T/Tmin)**cc - 1)
axp.plot(T_m,101325,'*')
axp.plot(T,pp,'--')
print fluid, CP.Props(fluid,"molemass"), CP.Props(fluid, 'accentric'), pp[-1]/p[-1]-1
if __name__=='__main__':
simon()