# -*- coding: utf-8 -*-
"""
Created on Thu Jul 18 09:53:09 2024
@author: Administrator
"""
import os
from pathlib import Path
import runpy
import math
import numpy as np
from optframework.base.base_solver import BaseSolver
from optframework.dpbe.dpbe_core import DPBECore
from optframework.dpbe.dpbe_visualization import DPBEVisual
from optframework.dpbe.dpbe_post import DPBEPost
[docs]class DPBESolver(BaseSolver):
"""
A discrete population balance equation (dPBE) solver for 1D and 2D particle systems.
This class is responsible for initializing ,solving and post-processing population balance equations (PBE)
in 1D or 2D, depending on the specified dimensionality. It integrates core PBE functionality
with visualization, post-processing, and magnetic separation capabilities by dynamically
binding methods from external modules.
Note
----
This class uses the `bind_methods_from_module` function to dynamically bind methods from external
modules. Some methods in this class are not explicitly defined here, but instead are imported from
other files. To fully understand or modify those methods, please refer to the corresponding external
file.
Parameters
----------
dim : int
The dimensionality of the PBE problem (1 for 1D, 2 for 2D).
t_total : int, optional
The total process time in second. Defaults to 601.
t_write : int, optional
The frequency (per second) for writing output data. Defaults to 100.
t_vec : array-like, optional
A time vector directly specifying output time points for the simulation.
load_attr : bool, optional
If True, loads attributes from a configuration file. Defaults to True.
config_path : str, optional
The file path to the configuration file. If None, the default config path is used.
disc : str, optional
The discretization scheme to use for the PBE. Defaults to 'geo'.
attr : dict, optional
Additional attributes for PBE initialization.
"""
def __init__(self, dim, t_total=601, t_write=100, t_vec=None, load_attr=True, config_path=None, disc='geo', **attr):
# Check if given dimension and discretization is valid
if not (dim in [1,2,3] and disc in ['geo','uni']):
print('Given dimension and/or discretization are not valid. Exiting..')
self._init_base_parameters(dim, t_total, t_write, t_vec)
self.disc = disc # 'geo': geometric grid, 'uni': uniform grid
self.NS = 12 # Grid parameter [-]
self.S = 2 # Geometric grid ratio (V_e[i] = S*V_e[i-1])
# In a geometric grid, volumes are calculated as midpoints between volume edges (V_e).
# Therefore, when using a geo-grid, the specified value here corresponds to the radius
# of the left edge of the grid, V_e[1]. The actual primary particle size is given by
# R[1] = ((1+S)/2)**(1/3)*R01
self.solve_algo = "ivp" # "ivp": use integrate.solve_ivp
# "radau": use RK.radau_ii_a, only for debug, not recommended
self.aggl_crit = 1e3 # The upper volume limit for agglomeration (grid-based). Compared to SIZEEVAL,
## MATERIAL parameters:
# NOTE: component 3 is defined as the magnetic component (both in 2D and 3D case)
self.R01 = 2.9e-7 # Basic radius component 1 [m] - NM1 ()
self.R02 = 2.9e-7 # Basic radius component 2 [m] - NM2
self.R03 = 2.9e-7 # Basic radius component 3 [m] - M3
## GENERAL constants
self.KT = 1.38*(10**-23)*293 # k*T in [J]
self.MU0 = 4*math.pi*10**-7 # Permeability constant vacuum [N/A²]
self.EPS0 = 8.854*10**-12 # Permettivity constant vacuum [F/m]
self.EPSR = 80 # Permettivity material factor [-]
self.E = 1.602*10**-19 # Electron charge [C]
self.NA = 6.022*10**23 # Avogadro number [1/mol]
self.MU_W = 10**-3 # Viscosity water [Pa*s]
self.EPS = self.EPSR*self.EPS0
## EXPERIMENTAL / PROCESS parameters:
self.I = 1e-3*1e3 # Ionic strength [mol/m³] - CARE: Standard unit is mol/L
self.JIT_FM = True # Define wheter or not the FM calculation should be precompiled
self.JIT_BF = True # Define wheter or not the BF calculation should be precompiled
# Initialize **attr
for key, value in attr.items():
setattr(self, key, value)
# Initialize PBE core, visualization, post-processing
self.core = DPBECore(self)
self.post = DPBEPost(self)
self.visualization = DPBEVisual(self)
# Load the configuration file, if available
if config_path is None and load_attr:
config_path = os.path.join(self.work_dir,"config","PBE_config.py")
if load_attr:
self._load_attributes(config_path)
self._check_params()
self._reset_params()