Add heterogeneous reacting surface boundary conditions

docs/documentation/case.md

@@ -356,6 +356,9 @@ This is enabled by adding ``'elliptic_smoothing': "T",`` and ``'elliptic_smoothi
 | `airfoil_id`         | Integer | Index into `ib_airfoil` array for NACA airfoil geometry patches. |
 | `model_id`           | Integer | Index into `stl_models` array for STL/OBJ geometry patches. |
 | `slip`               | Logical | Apply a slip boundary |
+| `thermal_bc`         | Integer | Thermal boundary-condition selector: 0 = zero-normal-gradient temperature, 1 = prescribed wall temperature, 2 = reacting surface energy balance. |
+| `Twall`              | Real    | Prescribed wall temperature used when `thermal_bc = 1`. |
+| `surface_reaction`   | Integer | Heterogeneous surface-reaction flag: 0 = disabled, 1 = enabled. |
 | `moving_ibm`         | Integer | Sets the method used for IB movement. |
 | `vel(i)`             | Real    | Initial velocity of the moving IB in the i-th direction. |
 | `angular_vel(i)`     | Real    | Initial angular velocity of the moving IB in the i-th direction. |
@@ -394,6 +397,12 @@ Additional details on this specification can be found in [NACA airfoil](https://
 
 - `slip` applies a slip boundary to the surface of the patch if true and a no-slip boundary condition to the surface if false.
 
+- `thermal_bc` selects the thermal immersed-boundary condition. A value of 0 applies a zero-normal-gradient temperature condition, 1 prescribes the wall temperature using `Twall`, and 2 solves the reacting-surface energy balance for the surface temperature. The `thermal_bc = 2` option requires `surface_reaction = 1`.
+
+- `Twall` specifies the prescribed surface temperature when `thermal_bc = 1` and must be positive in that case.
+
+- `surface_reaction` enables heterogeneous surface chemistry when set to 1. Surface reactions require `chemistry = T` and cannot be combined with `inj_species > 0`.
+
 - For STL/OBJ geometry (geometry 5 or 12), set `model_id` to index into the `stl_models` array and specify `model_filepath`, `model_scale`, `model_translate`, and `model_threshold` on that entry.
 
 - `moving_ibm` sets the method by which movement will be applied to the immersed boundary. Using 0 will result in no movement. Using 1 will result 1-way coupling where the boundary moves at a constant rate and applied forces to the fluid based upon its own motion. In 1-way coupling, the fluid does not apply forces back onto the IB. Using 2 will result in 2-way coupling, where the boundary pushes on the fluid and the fluid pushes back on the boundary via pressure and viscous forces. If external forces are applied, the boundary will also experience those forces.
@@ -1185,13 +1194,17 @@ When ``cyl_coord = 'T'`` is set in 2D the following constraints must be met:
 | `chem_params%%adap_substeps`   | Logical | Per-rank adaptive sub-step count driven by local stiffness  |
 | `chem_params%%reaction_substeps_max` | Integer | Sub-step ceiling when `adap_substeps` is enabled       |
 | `cantera_file`                | String  | Cantera-format mechanism file (e.g., .yaml)              |
+| `surface_cantera_file`        | String  | Cantera-format mechanism file for heterogeneous surface chemistry |
+| `surface_phase`               | String  | Cantera interface phase name for heterogeneous surface chemistry |
 
 - `chem_params%%transport_model` specifies the methodology for calculating diffusion coefficients and other transport properties, `1` for mixture-average, `2` for Unity-Lewis
 - `chem_params%%reaction_substeps` controls how the reaction source is integrated. With `0` (default) the net production rates are added to the flow right-hand side and advanced by the flow time stepper (fine for hydrogen). With a value `> 0`, the reaction is instead integrated by operator splitting after each flow update: every cell's constant-density, constant-internal-energy reactor is advanced over the timestep with that many sub-steps of an **α-QSS** (quasi-steady-state) integrator — a matrix-free, Jacobian-free predictor–corrector (Mott/CHEMEQ2) that splits the net rate into creation/destruction parts and applies a Padé α-weighting, so it stays stable on stiff mechanisms where an explicit source diverges. This decouples the (often much faster) chemical timescale from the flow timestep and is required for stiff mechanisms — e.g. hydrocarbons such as GRI-Mech methane, which otherwise diverge on the first step
 - `chem_params%%adap_substeps` (default `F`) makes each rank choose its α-QSS sub-step count per flow step from the largest chemical stiffness among its own cells: the count sits at `reaction_substeps` (the floor) in inert or burned gas and rises toward `reaction_substeps_max` (the ceiling) only across the reaction front. It uses no MPI collectives. When enabled, `reaction_substeps >= 1` and `reaction_substeps_max >= reaction_substeps` are required
 
 - `cantera_file` specifies the chemical mechanism file. If the file is part of the standard Cantera library, only the filename is required. Otherwise, the file must be located in the same directory as your `case.py` file
 
+- `surface_cantera_file` and `surface_phase` specify the Cantera mechanism file and interface phase used for heterogeneous surface chemistry. These parameters must be specified together when a surface mechanism is used.
+
 ### 18. Chemistry-Specific Boundary Conditions
 
 | Parameter          | Type    | Description                                                                 |