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RMPCDMD
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Go to the source code of this file.
Functions/Subroutines | |
| program | chemotactic_cell |
| Model a chemotactic experiment in a microfluidic channel. More... | |
| subroutine | flag_particles |
| subroutine | change_species |
| subroutine | concentration_field_cylindrical |
| subroutine | buffer_particles (particles, edges) |
| subroutine | compute_rho_xy |
| subroutine chemotactic_cell::buffer_particles | ( | type(particle_system_t), intent(inout) | particles, |
| double precision, dimension(3), intent(in) | edges | ||
| ) |
Definition at line 813 of file chemotactic_cell.f90.
| subroutine chemotactic_cell::change_species | ( | ) |
Definition at line 699 of file chemotactic_cell.f90.
| program chemotactic_cell | ( | ) |
Model a chemotactic experiment in a microfluidic channel.
In this simulation, an inlet (x=0) is fed with A and S fluid species in the lower and upper halves in the y direction, respectively. A constant accerelation is applied in the x direction and walls in the z direction confine the flow, leading to a Poiseuille velocity profile.
The colloid is a passive sphere, an active sphere or a dimer nanomotor.
| g | magnitude of acceleration |
| buffer_length | length of the inlet buffer |
| max_speed | maximum velocity of profile to initialize the velocities |
| probability | probability of reaction |
| alpha | angle of collision |
| store_rho_xy | store the xy density of solvent particles on a grid |
| store_rho_xy_z | bounds in z for the slice of rho_xy to store (2 elements) |
| dimer | simulate a dimer nanomotor (boolean, else it is a single sphere) |
| N_type | assign N species to the single sphere (boolean, else it is a C sphere) |
| L | length of simulation box in the 3 dimensions |
| rho | fluid number density |
| T | Temperature. Used for setting initial velocities and for wall thermostatting. |
| d | length of rigid link |
| N_in_front | place N sphere in front (higher x), for the dimer nanomotor |
| tau | MPCD collision time |
| N_MD | number MD steps occuring in tau |
| N_loop | number of MPCD timesteps |
| colloid_sampling | interval (in MD steps) of sampling the colloid position and velocity |
| steps_fixed | number of steps during which the colloid is fixed (only when buffer_length>0) |
| equilibration_loops | number of MPCD steps for equilibration (only when buffer_length=0) |
| sigma_C | radius of C sphere |
| sigma_N | radius of N sphere |
| track_y_shift | shift of the track in the y direction with respect to Ly/2 |
| epsilon_C | interaction parameter of C sphere with both solvent species (2 elements) |
| epsilon_N | interaction parameter of N sphere with both solvent species (2 elements) |
Definition at line 40 of file chemotactic_cell.f90.
| subroutine chemotactic_cell::compute_rho_xy | ( | ) |
Definition at line 843 of file chemotactic_cell.f90.
| subroutine chemotactic_cell::concentration_field_cylindrical | ( | ) |
Definition at line 751 of file chemotactic_cell.f90.
| subroutine chemotactic_cell::flag_particles | ( | ) |
Definition at line 678 of file chemotactic_cell.f90.
1.8.13