def solve_point(point, molecules, pressure, temperature):
i, j, k = point
zcomp = normalize_list([j + 0.01, i + 0.01, k + 0.01])
#print ('Solving zcomp:', zcomp)
mix = Mixture(molecules, zcomp)
Flash.flash_mixture(mix, pressure, temperature)
return mix
def create_composition_data(points):
ternary_cols = ['M', 'z', 'x', 'y']
rows = len(points)
comp_dfs = []
for comp in range(len(molecules)):
comp_df = pd.DataFrame([[0 for _ in range(rows)]
for _ in range(len(ternary_cols))],
ternary_cols)
comp_dfs.append(comp_df)
count = 0
for i, j, k in points:
zFracs = [i + 0.1, j + 0.1, k + 0.1]
normalize_list(zFracs)
mix = Mixture(molecules, zFracs)
Flash.flash_mixture(mix, psi, rankine)
for m in range(len(molecules)):
comp_dfs[m][count] = mix.fluids[['molecule', 'z', 'x', 'y']].ix[m]
count += 1
return comp_dfs
import Flash from Mixture import Mixture psi = 3000 rankine = 160 + 460 molecules = ['C1', 'C4', 'C10'] zFracs = [0.6301, 0.1055, 0.2644] mix = Mixture() mix.initialize_fluids(molecules, zFracs) Flash.flash_mixture(mix, psi, rankine) print print '-----Results-----' print mix.zFactors print mix.xFracs print mix.yFracs
def create_ternary(molecules,
pressure,
temperature,
amt=30,
heatmap=False,
tie_lines=False,
specific_zFracs=[],
finish_curve=False):
scale = 2
points = len(list(ternary.helpers.simplex_iterator(scale)))
while points <= amt:
scale += 1
points = len(list(ternary.helpers.simplex_iterator(scale)))
scale -= 1
points = list(ternary.helpers.simplex_iterator(scale))
rows = len(points)
print('using number of points:', rows)
print('scale set to:', scale)
cmap = plt.cm.get_cmap('summer')
f, ax = plt.subplots(1, 1, figsize=(10, 8))
figure, tax = ternary.figure(ax=ax, scale=scale)
style = 'h'
# can be changed for colorized axes on composition (b: bottom, l: left, r: right)
axes_colors = {'b': 'black', 'l': 'black', 'r': 'black'}
mixed_data = []
if heatmap:
mixed_data = create_composition_data(molecules, pressure, temperature,
points, scale)
values = mixed_data[0]
tax.heatmap(dict(zip(points, values)),
scale=scale,
cmap=cmap,
vmax=1,
style=style,
colorbar=True)
tax.boundary(linewidth=2.0, axes_colors=axes_colors)
tax.left_axis_label("C3", offset=0.16, color=axes_colors['l'])
tax.right_axis_label("C1", offset=0.16, color=axes_colors['r'])
tax.bottom_axis_label("C2", offset=-0.06, color=axes_colors['b'])
tax.gridlines(multiple=1,
linewidth=1,
horizontal_kwargs={'color': axes_colors['b']},
left_kwargs={'color': axes_colors['l']},
right_kwargs={'color': axes_colors['r']},
alpha=0.6)
ticks = [round(i / float(scale), 1) for i in reversed(range(scale + 1))]
tax.ticks(ticks=ticks,
axis='lbr',
linewidth=1,
clockwise=True,
axes_colors=axes_colors,
offset=0.03)
tax.clear_matplotlib_ticks()
tax._redraw_labels()
#tie-lines
prev_xs = []
prev_ys = []
max_phases = [0.64, 0.21, 0.15]
print('max phases:', max_phases)
cnt = 0
while max_phases[1] > 0 and cnt < 10 and tie_lines:
pnt = (max_phases[0], max_phases[1], max_phases[2])
tie_mix = Mixture(molecules, max_phases)
Flash.flash_mixture(tie_mix, pressure, temperature)
diff = 0.05
max_phases[1] -= diff
max_phases[2] += diff
if tie_mix.vapor == 0 or tie_mix.vapor == 1:
print('not in two-phase', pnt)
continue
cnt += 1
fluids = tie_mix.fluids
xs = [
fluids['x'][1] * scale, fluids['x'][0] * scale,
fluids['x'][2] * scale
]
ys = [
fluids['y'][1] * scale, fluids['y'][0] * scale,
fluids['y'][2] * scale
]
if len(prev_xs) > 0 and len(prev_ys) > 0:
tax.plot([xs, prev_xs],
linewidth=1.0,
label="Two-Phase Curve",
color='b')
tax.plot([ys, prev_ys],
linewidth=1.0,
label="Two-Phase Curve",
color='b')
prev_xs = xs
prev_ys = ys
tax.plot([xs, ys], linewidth=1, label="Tie-Line", color='b')
if len(specific_zFracs) > 0:
z1 = specific_zFracs[1]
z2 = specific_zFracs[0]
z3 = specific_zFracs[2]
specific_mix = Mixture(molecules, [z1, z2, z3])
Flash.flash_mixture(specific_mix, pressure, temperature)
fluids = specific_mix.fluids
zss = [
fluids['z'][1] * scale, fluids['z'][0] * scale,
fluids['z'][2] * scale
]
xss = [
fluids['x'][1] * scale, fluids['x'][0] * scale,
fluids['x'][2] * scale
]
yss = [
fluids['y'][1] * scale, fluids['y'][0] * scale,
fluids['y'][2] * scale
]
tax.plot([xss, zss], linewidth=2.5, label="Specific-Line", color='r')
tax.plot([zss, yss],
linewidth=2.5,
label="Specific-Line",
color='pink')
if tie_lines and heatmap and finish_curve:
prev_xs = []
prev_ys = []
final_mixes = mixed_data[2]
for f_mix in final_mixes:
print f_mix
fluids = f_mix.fluids
xs = [
fluids['x'][1] * scale, fluids['x'][0] * scale,
fluids['x'][2] * scale
]
ys = [
fluids['y'][1] * scale, fluids['y'][0] * scale,
fluids['y'][2] * scale
]
if len(prev_xs) > 0 and len(prev_ys) > 0:
tax.plot([xs, prev_xs],
linewidth=1.0,
label="Two-Phase Curve",
color='b')
tax.plot([ys, prev_ys],
linewidth=1.0,
label="Two-Phase Curve",
color='b')
prev_xs = xs
prev_ys = ys
tax.plot([xs, ys], linewidth=1, label="Tie-Line", color='b')
tax.show()
return tax
