domain_params['poros'] = porosity
#solver parameters
solver_params = {}
solver_params['collision_model'] = 'trt'
solver_params['magic_para'] = 1. / 4.
solver_params['cphifact'] = 1. / 3.
#solver_params['phrqc_flags']['smart_run']=True
#solver_params['phrqc_smart_run_tol']=1e-8
bc_params = {
'top': ['flux', 0.0],
'bottom': ['flux', 0.0],
'left': ['flux', 0.0],
'right': ['flux', 0.0]
}
rt = yantra.PhrqcReactiveTransport('MultilevelAdvectionDiffusion', domain,
domain_params, bc_params, solver_params)
#%% run model
time = []
AvgCa = []
TotCH = []
iters = 20
while rt.iters < iters: #rt.time<=0.1:#
rt.fluid.call('advance')
c = copy.deepcopy(rt.fluid.get_attr('c'))
#advance phrqc
ss = rt.phrqc.modify_solution(c, rt.dt, rt.solid.nodetype)
phaseqty = rt.solid.update(rt.phrqc.dphases)
if len(phaseqty):
rt.phrqc.modify_solid_phases(phaseqty)
rt.fluid.set_attr('ss', ss)
rt.fluid.set_attr('nodetype', rt.solid.nodetype, component_dict=False)
domain_params['solid_phases'] = {
'portlandite': {
'type': 'non_diffusive',
'mvol': 1,
'c': pqty
}
}
domain_params['voxel_vol'] = 1
#solver parameters
solver_params = {}
solver_params['collision_model'] = 'srt'
solver_params['phrqc_flags'] = {}
solver_params['phrqc_flags']['only_interface'] = True
#solver_params['phrqc_flags']['smart_run']=True
#solver_params['phrqc_smart_run_tol']=1e-8
rt = yantra.PhrqcReactiveTransport('AdvectionDiffusion', domain, domain_params,
{}, solver_params)
#%%run model
time = []
AvgCa = []
while rt.time <= 1: #20
rt.advance()
if (rt.iters % 50 == 0):
print("+++Time: %s" % rt.time)
print("Active Phreeqc Nodes: %s" % rt.phrqc.nactive)
print("Solid nodes: %s" % rt.solid.nsolids)
AvgCa.append(np.sum(rt.fluid.Ca.c) / np.sum(rt.fluid.Ca.nodetype <= 0))
time.append(rt.time)
#%%plot results
plt.figure()
plt.plot(time, AvgCa)