def run_chemical_single_reactor():
data = []
volume = 1 # m3
copper_conc = 4 / 63.5
upstream = reactors.BaseUpStream()
cstr = reactors.CSTR(volume, upstream)
metal_rate = reactions.MetalDissolutionRate(
constants.COPPER,
copper_conc,
upstream.flow_out["components"]["ferric"],
system=constants.CONTINUOUS)
cstr.create_components(metal_rate)
i = 0
# metal_rate.ferric > 1e-9 and metal_rate.component_conc > 1e-9
while True:
temp = {}
cstr_data = cstr.run()
# print metal_rate.ferric, metal_rate.component_conc
if metal_rate.ferric < 1e-9 or metal_rate.component_conc < 1e-9:
break
temp = {"step": i}
temp.update(cstr_data)
data.append(temp)
i = i + 1
return data
def add_reactants_to_chem_cstr(self):
for k, v in self.initial_metals.iteritems():
metal = reactions.MetalDissolutionRate(k,
v,
system=constants.CONTINUOUS)
self.chem_cstr.create_components(metal)
self.system_components.append(metal.reactant_name)
def test_running_cstr_reactor_with_simplified_chemical_equation(self):
upstream = reactors.BaseUpStream()
cstr = reactors.CSTR(self.volume, upstream)
copper_rate = reactions.MetalDissolutionRate(
constants.COPPER,
self.copper_conc,
self.ferric_conc,
system=constants.CONTINUOUS)
cstr.create_components(copper_rate)
self.assertIn(copper_rate, cstr.components)
self.assertEqual(cstr.flow_in, upstream.flow_out)
self.assertEqual(cstr.flow_in, cstr.flow_out)
self.assertIsNotNone(cstr.flow_in)
# self.assertEqual(cstr.ions[copper_rate.reactant_name], 0)
output = cstr.run()
self.assertIn('total_rate_ferric', output["cstr_data"])
self.assertIn('total_rate_ferrous', output["cstr_data"])
self.assertIn('Cu', output["cstr_data"]["components"])
self.assertEqual(output["cstr_data"]['total_rate_ferrous'],
-output["cstr_data"]['total_rate_ferric'])
self.assertEqual(
output["cstr_data"]["components"][copper_rate.reactant_name]
['rate_ferrous'], -output["cstr_data"]["components"][
copper_rate.reactant_name]['rate_ferric'])
self.assertEqual(
output["cstr_data"]['total_rate_ferrous'], output["cstr_data"]
["components"][copper_rate.reactant_name]["rate_ferrous"])
self.assertNotEqual(output["flow_out"]["components"]["ferric"],
upstream.flow_out["components"]["ferric"])
self.assertEqual(output["flow_out"]["components"]["ferric"],
cstr.flow_out["components"]["ferric"])
# Assert that the change in ferric is equal to change in rate
self.assertAlmostEqual(
output["flow_out"]["components"]["ferric"] -
cstr.flow_in["components"]["ferric"], output["cstr_data"]
['total_rate_ferric']) # Almost equal due to floating point errors
def run_copper_reaction_rates():
copper_conc = 0.064
ferric_conc = 0.171
copper = reactions.MetalDissolutionRate(constants.COPPER, copper_conc,
ferric_conc)
data = []
i = 0
while copper.ferric > 1e-9 and copper.component_conc > 1e-9:
temp = {}
# rate_ferrous, rate_ferric, copper_component_conc = copper.run()
output = copper.run()
temp = {
"ferric": copper.ferric,
"step": i,
"copper": output["component_moles"],
"cupric": output["ion_moles"]
}
temp.update(output)
data.append(temp)
i = i + 1
return data
def test_chemical_reaction_rate(self):
copper_conc = 2 / 65.3
ferric_conc = 0.0001
copper = reactions.MetalDissolutionRate(constants.COPPER, copper_conc,
ferric_conc)
rate_ferric = copper.metal_powder_rate()