Changed a bunch of docstrings for examples, added error handling for Reactor classes

interfaces/matlab_experimental/Reactor/Reactor.m

@@ -54,9 +54,9 @@ classdef Reactor < handle
             r.type = char(typ);
             r.id = callct('reactor_new', typ);
 
-%             if r.id < 0
-%                 error(geterr);
-%             end
+            if r.id < 0
+                error(geterr);
+            end
 
             if isa(content, 'Solution')
                 r.insert(content);

interfaces/matlab_experimental/Reactor/ReactorSurface.m

@@ -38,9 +38,9 @@ classdef ReactorSurface < handle
 
             s.surfID = callct('reactorsurface_new', 0);
             s.reactor = -1;
-%             if r.id < 0
-%                 error(geterr);
-%             end
+            if r.id < 0
+                error(geterr);
+            end
 
             if nargin >= 1
                 s.setKinetics(kleft);

interfaces/matlab_experimental/Reactor/Wall.m

@@ -75,9 +75,9 @@ classdef Wall < handle
 
             x.type = char(typ);
             x.id = callct('wall_new', x.type);
-%             if x.index < 0
-%                 error(geterr);
-%             end
+            if x.index < 0
+                error(geterr);
+            end
             x.left = -1;
             x.right = -1;
 

samples/matlab_experimental/catcomb.m

@@ -1,4 +1,4 @@
-% Catalytic combustion of a stagnation flow on a platinum surface
+%% CATCOMB - Catalytic combustion of a stagnation flow on a platinum surface
 %
 % This script solves a catalytic combustion problem. A stagnation flow
 % is set up, with a gas inlet 10 cm from a platinum surface at 900
@@ -9,6 +9,7 @@
 %
 % The catalytic combustion mechanism is from Deutschman et al., 26th
 % Symp. (Intl.) on Combustion,1996 pp. 1747-1754
+%
 
 %% Initialization
 
@@ -57,13 +58,13 @@ refine_grid = 1;                    % 1 to enable refinement, 0 to
 % and transport properties
 %
 % The gas phase will be taken from the definition of phase 'gas' in
-% input file 'ptcombust.yaml,' which is a stripped-down version of
+% input file 'ptcombust.yaml', which is a stripped-down version of
 % GRI-Mech 3.0.
 
 gas = Solution('ptcombust.yaml', 'gas', transport);
 gas.TPX = {tinlet, p, comp1};
 
-%% create the interface object
+%% Create the interface object
 %
 % This object will be used to evaluate all surface chemical production
 % rates. It will be created from the interface definition 'Pt_surf'
@@ -86,7 +87,7 @@ surf_phase.advanceCoverages(1.0);
 % for 1-D simulations. These will be 'stacked' together to create
 % the complete simulation.
 
-%% create the flow object
+%% Create the flow object
 %
 % The flow object is responsible for evaluating the 1D governing
 % equations for the flow. We will initialize it with the gas

samples/matlab_experimental/conhp.m

@@ -1,10 +1,9 @@
 function dydt = conhp(t, y, gas, mw) %#ok<INUSL>
     % CONHP - ODE system for a constant-pressure, adiabatic reactor.
     %
-    %    Function CONHP evaluates the system of ordinary differential
-    %    equations for an adiabatic, constant-pressure,
-    %    zero-dimensional reactor. It assumes that the 'gas' object
-    %    represents a reacting ideal gas mixture.
+    % Function CONHP evaluates the system of ordinary differential equations
+    % for an adiabatic, constant-pressure, zero-dimensional reactor.
+    % It assumes that the 'gas' object represents a reacting ideal gas mixture.
 
     % Set the state of the gas, based on the current solution vector.
     gas.Y = y(2: end);

samples/matlab_experimental/conuv.m

@@ -1,10 +1,9 @@
 function dydt = conuv(t, y, gas, mw) %#ok<INUSL>
     % CONUV ODE system for a constant-volume, adiabatic reactor.
     %
-    %    Function CONUV evaluates the system of ordinary differential
-    %    equations for an adiabatic, constant-volume,
-    %    zero-dimensional reactor. It assumes that the 'gas' object
-    %    represents a reacting ideal gas mixture.
+    % Function CONUV evaluates the system of ordinary differential
+    % equations for an adiabatic, constant-volume, zero-dimensional reactor.
+    % It assumes that the 'gas' object represents a reacting ideal gas mixture.
 
 
     % Set the state of the gas, based on the current solution vector.

samples/matlab_experimental/diff_flame.m

@@ -1,7 +1,9 @@
-% DIFF_FLAME - An opposed-flow diffusion flame.
+%% DIFF_FLAME - An opposed-flow diffusion flame.
+%
 % This example uses the CounterFlowDiffusionFlame function to solve an
 % opposed-flow diffusion flame for Ethane in Air. This example is the same
 % as the diffusion_flame.py example without radiation.
+%
 
 %% Initialization
 

samples/matlab_experimental/equil.m

@@ -1,8 +1,9 @@
 function equil(g)
-% EQUIL A chemical equilibrium example.
+%% EQUIL - A chemical equilibrium example.
 %
 % This example computes the adiabatic flame temperature and equilibrium
 % composition for a methane/air mixture as a function of equivalence ratio.
+%
 
     clear all
     close all

samples/matlab_experimental/flame1.m

@@ -1,7 +1,8 @@
-% FLAME1 - A burner-stabilized flat flame
+%% FLAME1 - A burner-stabilized flat flame
+%
+% This script simulates a burner-stablized lean hydrogen-oxygen flame
+% at low pressure.
 %
-%    This script simulates a burner-stablized lean hydrogen-oxygen flame
-%    at low pressure.
 
 %% Initialization
 

samples/matlab_experimental/flame2.m

@@ -1,6 +1,7 @@
-% FLAME2 - An axisymmetric stagnation-point non-premixed flame
+%% FLAME2 - An axisymmetric stagnation-point non-premixed flame
+%
+% This script simulates a stagnation-point ethane-air flame.
 %
-%    This script simulates a stagnation-point ethane-air flame.
 
 %% Initialization
 

samples/matlab_experimental/ignite.m

@@ -1,5 +1,5 @@
 function plotdata = ignite(g)
-% IGNITE Zero-dimensional kinetics: adiabatic, constant pressure.
+%% IGNITE Zero-dimensional kinetics: adiabatic, constant pressure.
 %
 %    This example solves the same problem as 'reactor1,' but does
 %    it using one of MATLAB's ODE integrators, rather than using the

samples/matlab_experimental/isentropic.m

@@ -1,8 +1,8 @@
 function isentropic(g)
-% ISENTROPIC  isentropic, adiabatic flow example
+%% ISENTROPIC - isentropic, adiabatic flow example
 %
-%    In this example, the area ratio vs. Mach number curve is
-%    computed for a hydrogen/nitrogen gas mixture.
+% In this example, the area ratio vs. Mach number curve is computed for a
+% hydrogen/nitrogen gas mixture.
 %
     clear all
     close all

samples/matlab_experimental/lithium_ion_battery.m

@@ -1,13 +1,13 @@
-% LITHIUM_ION_BATTERY
+%% LITHIUM_ION_BATTERY
 %
 % This example file calculates the cell voltage of a lithium-ion battery
 % at given temperature, pressure, current, and range of state of charge (SOC).
 %
 % The thermodynamics are based on a graphite anode and a LiCoO2 cathode,
 % modeled using the 'BinarySolutionTabulatedThermo' class.
-% Further required cell parameters are the electrolyte ionic resistance, the
-% stoichiometry ranges of the active materials (electrode balancing), and the
-% surface area of the active materials.
+% Further required cell parameters are the electrolyte ionic resistance,
+% the stoichiometry ranges of the active materials (electrode balancing),
+% and the surface area of the active materials.
 %
 % The functionality of this example is presented in greater detail in the
 % reference (which also describes the derivation of the
@@ -18,6 +18,7 @@
 % of the thermodynamics of lithium-ion battery intercalation materials in the
 % open-source software Cantera,” Electrochim. Acta 323, 134797 (2019),
 % https://doi.org/10.1016/j.electacta.2019.134797
+%
 
 %% Initialization
 

samples/matlab_experimental/periodic_cstr.m

@@ -1,22 +1,21 @@
 function periodic_cstr
+%%  PERIODIC_CSTR - A CSTR with steady inputs but periodic interior state.
 %
-%  PERIODIC_CSTR - A CSTR with steady inputs but periodic interior state.
-%
-%  A stoichiometric hydrogen/oxygen mixture is introduced and reacts to produce
-%  water. But since water has a large efficiency as a third body in the chain
-%  termination reaction
+% A stoichiometric hydrogen/oxygen mixture is introduced and reacts to
+% produce water. But since water has a large efficiency as a third body
+% in the chain termination reaction
 %
 %         H + O2 + M = HO2 + M
 %
-%  as soon as a significant amount of water is produced the reaction
-%  stops. After enough time has passed that the water is exhausted from
-%  the reactor, the mixture explodes again and the process
-%  repeats. This explanation can be verified by decreasing the rate for
-%  reaction 7 in file 'h2o2.yaml' and re-running the example.
+% as soon as a significant amount of water is produced the reaction stops.
+% After enough time has passed that the water is exhausted from the reactor,
+% the mixture explodes again and the process repeats. This explanation can be
+% verified by decreasing the rate for reaction 7 in file 'h2o2.yaml' and
+% re-running the example.
 %
-%  Acknowledgments: The idea for this example and an estimate of the
-%  conditions needed to see the oscillations came from Bob Kee,
-%  Colorado School of Mines
+% Acknowledgments: The idea for this example and an estimate of the
+% conditions needed to see the oscillations came from Bob Kee,
+% Colorado School of Mines
 %
 
     clear all

samples/matlab_experimental/plug_flow_reactor.m

@@ -1,24 +1,25 @@
-% General_Plug_Flow_Reactor (PFR) - to solve PFR equations for reactors
+%% Plug_Flow_Reactor (PFR) - to solve PFR equations for reactors
 %
-%    This code snippet is to model a constant area and varying area
-%    (converging and diverging) nozzle as Plug Flow Reactor with given
-%    dimensions and an incoming gas. The pressure is not assumed to be
-%    constant here, as opposed to the Python Version of the
-%    Plug Flow Reactor model.
+% This code snippet is to model a constant area and varying area
+% (converging and diverging) nozzle as Plug Flow Reactor with given
+% dimensions and an incoming gas. The pressure is not assumed to be
+% constant here, as opposed to the Python Version of the
+% Plug Flow Reactor model.
 %
-%    The reactor assumes that the flow follows the Ideal Gas Law.
+% The reactor assumes that the flow follows the Ideal Gas Law.
 %
-%    The governing equations used in this code can be referenced at:
-%    *S.R Turns, An Introduction to Combustion - Concepts and Applications,
-%    McGraw Hill Education, India, 2012, 206-210.*
+% The governing equations used in this code can be referenced at:
+% *S.R Turns, An Introduction to Combustion - Concepts and Applications,
+% McGraw Hill Education, India, 2012, 206-210.*
 %
-%    The current example is written for methane combustion, but can be readily
-%    adapted for other chemistries.
+% The current example is written for methane combustion, but can be readily
+% adapted for other chemistries.
+%
+% Developed by Ashwin Kumar/Dr.Joseph Meadows (mgak@vt.edu/jwm84@vt.edu) on 3-June-2020
+% Research Assistant/Assistant Professor
+% Advanced Propulsion and Power Laboratory
+% Virginia Tech
 %
-%    Developed by Ashwin Kumar/Dr.Joseph Meadows (mgak@vt.edu/jwm84@vt.edu) on 3-June-2020
-%    Research Assistant/Assistant Professor
-%    Advanced Propulsion and Power Laboratory
-%    Virginia Tech
 
 %% Clear all variables, close all figures, clear the command line:
 

samples/matlab_experimental/prandtl1.m

@@ -1,9 +1,10 @@
 function prandtl1(g)
-% PRANDTL1  Prandtl number for an equilibrium H/O gas mixture.
+%% PRANDTL1 - Prandtl number for an equilibrium H/O gas mixture.
+%
+% This example computes and plots the Prandtl number for a hydrogen / oxygen
+% mixture in chemical equilibrium for P = 1 atm and a range of temperatures
+% and elemental O/(O+H) ratios.
 %
-%    This example computes and plots the Prandtl number for a
-%    hydrogen / oxygen mixture in chemical equilibrium for P = 1
-%    atm and a range of temperatures and elemental O/(O+H) ratios.
 
     clear all
     close all

samples/matlab_experimental/prandtl2.m

@@ -1,8 +1,8 @@
 function prandtl2(g)
-    % PRANDTL2  Prandtl number for an equilibrium H/O gas mixture.
+    %% PRANDTL2 - Prandtl number for an equilibrium H/O gas mixture.
     %
-    %    This example does the same thing as prandtl1, but using
-    %    the multicomponent expression for the thermal conductivity.
+    % This example does the same thing as prandtl1, but using the
+    % multicomponent expression for the thermal conductivity.
     %
 
     clear all

samples/matlab_experimental/reactor1.m

@@ -1,9 +1,10 @@
 function reactor1(g)
-% REACTOR1 Zero-dimensional kinetics: adiabatc, constant pressure.
+%% REACTOR1 Zero-dimensional kinetics: adiabatc, constant pressure.
 %
 % This example illustrates how to use class 'Reactor' for zero-dimensional
 % kinetics simulations. Here the parameters are set so that the reactor is
 % adiabatic and very close to constant pressure.
+%
 
     clear all
     close all

samples/matlab_experimental/reactor2.m

@@ -1,9 +1,10 @@
 function reactor2(g)
-% REACTOR2 Zero-dimensional kinetics: adiabatic, constant volume.
+%% REACTOR2 - Zero-dimensional kinetics: adiabatic, constant volume.
+%
+% This example illustrates how to use class 'Reactor' for zero-dimensional
+% kinetics simulations. Here the parameters are set so that the reactor is
+% adiabatic and constant volume.
 %
-%    This example illustrates how to use class 'Reactor' for
-%    zero-dimensional kinetics simulations. Here the parameters are
-%    set so that the reactor is adiabatic and constant volume.
 
     clear all
     close all

samples/matlab_experimental/reactor_ode.m

@@ -1,9 +1,9 @@
 function dydt = reactor_ode(t, y, gas, vdot, area, heatflux)
-% REACTOR ODE system for a generic zero-dimensional reactor.
+%% REACTOR ODE - system for a generic zero-dimensional reactor.
 %
-%    Function REACTOR evaluates the system of ordinary differential
-%    equations for a zero-dimensional reactor with arbitrary heat
-%    transfer and  volume change.
+% Function REACTOR evaluates the system of ordinary differential equations
+% for a zero-dimensional reactor with arbitrary heat transfer and
+% volume change.
 %
 % Solution vector components:
 %    y(1)   Total internal energy U

samples/matlab_experimental/surfreactor.m

@@ -1,8 +1,8 @@
-% SURFREACTOR Zero-dimensional reactor with surface chemistry
+%% SURFREACTOR - Zero-dimensional reactor with surface chemistry
+%
+% This example illustrates how to use class 'Reactor' for zero-dimensional
+% simulations including both homogeneous and heterogeneous chemistry.
 %
-%    This example illustrates how to use class 'Reactor' for
-%    zero-dimensional simulations including both homogeneous and
-%    heterogeneous chemistry.
 
 %% Initialization
 

samples/matlab_experimental/test_examples.m

@@ -1,4 +1,5 @@
 % runs selected examples without pausing
+
 LoadCantera
 clear all
 close all