'ca_mlvl': { 'type': 'eq', 'value': 'calcite' }, 'ca_liq': { 'type': 'eq', 'value': 'calcite' } } phrqc = fn.set_phrqc_input(phrqc_input, ptype=m) fn.save_phrqc_input(phrqc, root_dir, nn) #%% scale = 10 # scale of molar volume init_porosCH = 0.05 #initial porosity of portlandite nodes mvol = fn.set_mvols({}, scale, ptype=m) #m3/mol max_pqty = fn.get_max_pqty(mvol) #mol/m3 init_conc = fn.set_init_pqty(mvol, scale, init_porosCH) pqty = fn.get_pqty(init_conc, domain) slabels = fn.set_labels(domain, m) D = 1.0e-09 # default diffusion coefficient in pure liquid porosity = fn.get_porosity(domain, pqty, mvol, m) app_tort_degree = 1. / 3. app_tort = 1. * porosity**app_tort_degree settings = { 'precipitation': 'interface', # 'interface'/'all'/'mineral' nodes 'dissolution': 'multilevel', #'multilevel'/'subgrid' 'active_nodes': 'smart', # 'all'/'smart'/
fn.make_output_dir(path) phrqc_input = {'c_bc':{'type':'pco2', 'value': 3.4}, #3.05E-02, 3.74E-02, 4.30E-02 'c_mlvl':{'type':'conc', 'value': '0'}, 'c_liq':{'type':'conc', 'value': '0'}, 'ca_mlvl':{'type':'eq', 'value': 'portlandite'}, 'ca_liq':{'type':'conc', 'value': '0'}}#calcite phrqc = fn.set_phrqc_input(phrqc_input) fn.save_phrqc_input(phrqc,root_dir, nn) scale = 50. # scale of molar volume init_porosCH = 0.05 #initial porosity of portlandite nodes mvol_ratio = 3.69/3.31 mvolCH = 0.0331*scale mvol = [mvolCH, mvolCH*mvol_ratio] mvol = fn.set_mvols(mvol, ptype = m) #m3/mol max_pqty = fn.get_max_pqty(mvol) #mol/m3 init_conc = fn.set_init_pqty(mvol, init_porosCH) pqty = fn.get_pqty(init_conc, domain) slabels = fn.set_labels(domain, m) D = 1.0e-09 # default diffusion coefficient in pure liquid porosity = fn.get_porosity(domain, pqty, mvol, m) app_tort_degree = 1./3. app_tort = 1. * porosity ** app_tort_degree settings = {'precipitation': 'interface', # 'interface'/'all'/'mineral' nodes 'dissolution':'subgrid', #'multilevel'/'subgrid' 'active_nodes': 'all', # 'all'/'smart'/ 'diffusivity':{'border': D, ##diffusivity at border