Produced using MATLAB® software. TR_1D_model1_SS\read_program_input Page 1 of 13 TR_1D_model1_SS\read_program_input.m % TR_1D_model1_SS\read_program_input.m % % function [ProbDim,Reactor,Physical,Rxn,Grid,iflag] = ... % read_program_input(); % % This procedure reads in the simulation parameters that are % required to define the problem. This is done only for an % initial simulation and need not be done on a restart. For % the first version of the program, the input is made from % the screen, so the routine also prints out sufficient % information to explain the meaning of each input % parameter. % % Kenneth Beers % Massachusetts Institute of Technology % Department of Chemical Engineering % 7/2/2001 % % Version as of 7/25/2001 function [ProbDim,Reactor,Physical,Rxn,Grid,iflag] = ... read_program_input(); func_name = 'read_program_input'; iflag = 0; disp(' '); disp(' '); disp('Input the system parameters : '); disp('The parameters are input in real units, where '); disp(' L = unit of length'); disp(' M = unit of mass'); disp(' t = unit of time'); disp(' E = unit of energy'); disp(' T = unit of temperature'); % REACTOR DATA -----------------------------------------% PDL> Input first the reactor size and flow rate data : % Reactor.len,Reactor.dia,Reactor.Qflow disp(' '); 7/16/2002TR_1D_model1_SS\read_program_input Page 2 of 13 disp(' '); disp('Input the reactor dimensions : '); disp(' '); % Perform assertion that a real scalar positive number has % been entered. This is performed by a function assert_scalar % that gives first the value and name of the variable, the name % of the function that is making the assertion, and values of % 1 for the three flags that tell the assertion routine to make % sure the value is real, positive, and not to check that it is % an integer. % Reactor.len check_real=1; check_sign=1; check_int=0; prompt = 'Input the length of the reactor (L) : '; Reactor.len = get_input_scalar(prompt, ... check_real,check_sign,check_int); % Reactor.dia check_real=1; check_sign=1; check_int=0; prompt = 'Input the diameter of the reactor (L) : '; Reactor.dia = get_input_scalar(prompt, ... check_real,check_sign,check_int); % Reactor.Qflow check_real=1; check_sign=1; check_int=0; prompt = 'Input the volumetric flow rate (L^3/t) : '; Reactor.Qflow = get_input_scalar(prompt, ... check_real,check_sign,check_int); %PDL> Calculate other static reactor properties : % reactor_volume, reactor_cross_area, reactor_surf_area, % reactor_velocity Reactor.cross_area = pi/4*Reactor.dia*Reactor.dia; Reactor.surf_area = pi*Reactor.dia*Reactor.len; Reactor.volume = Reactor.cross_area*Reactor.len; Reactor.velocity = Reactor.Qflow/Reactor.cross_area; % PDL> Input reactor coolant variables : % Reactor.Temp_cool, Reactor.U_HT disp(' '); % Reactor.Temp_cool check_real=1; check_sign=1; check_int=0; prompt = 'Input the jacket coolant temperature (T) : '; 7/16/2002TR_1D_model1_SS\read_program_input Page 3 of 13 Reactor.Temp_cool = get_input_scalar(prompt, ... check_real,check_sign,check_int); % Reactor.U_HT check_real=1; check_sign=1; check_int=0; prompt = ['Input the jacket heat transfer coefficient', ... ' (E/t/(L^2)/T) : ']; Reactor.U_HT = get_input_scalar(prompt, ... check_real,check_sign,check_int); % PDL> Input number of species, ProbDim.num_species disp(' '); disp(' '); % ProbDim.num_species check_real=1; check_sign=1; check_int=1; prompt = 'Input the number of species : '; ProbDim.num_species = get_input_scalar(prompt, ... check_real,check_sign,check_int); % PDL> Input reactor inlet properties : % Reactor.conc_in, Reactor.Temp_in disp(' '); disp(' '); disp(['Input the inlet concentrations (mol/L^3) ', ... 'and temperature (T).']); disp(' '); Reactor.conc_in = linspace(0,0,ProbDim.num_species)'; for ispecies = 1:ProbDim.num_species % Reactor.conc_in(ispecies) check_real=1; check_sign=2; check_int=0; prompt = ['Enter inlet concentration of species ', ... int2str(ispecies), ' : ']; Reactor.conc_in(ispecies) = get_input_scalar( ... prompt,check_real,check_sign,check_int); end disp(' '); % Reactor.Temp_in check_real=1; check_sign=1; check_int=0; prompt = 'Enter temperature of inlet : '; Reactor.Temp_in = get_input_scalar(prompt, ... 7/16/2002TR_1D_model1_SS\read_program_input Page 4 of 13 check_real,check_sign,check_int); % PHYSICAL DATA --------------------------------------------% PDL> Input physical data : % Physical.diffusivity, Physical.density, % Physical.Cp, Physical.thermal_conductivity Physical.diffusivity = linspace(0,0,ProbDim.num_species)'; disp(' '); disp(' '); disp('Next, input the diffusivities of each species (L^2/t) : '); disp(' '); for ispecies = 1:ProbDim.num_species % Physical.diffusivity(ispecies) check_real=1; check_sign=2; check_int=0; prompt = ['Input diffusivity of species ', ... int2str(ispecies), ' : ']; Physical.diffusivity(ispecies) = ... get_input_scalar(prompt, ... check_real,check_sign,check_int); end disp(' '); % Physical.density check_real=1; check_sign=1; check_int=0; prompt = 'Input density of medium (M / L^3) : '; Physical.density = get_input_scalar( ... prompt,check_real,check_sign,check_int); disp(' '); % Physical.Cp check_real=1; check_sign=1; check_int=0; prompt = ['Input heat capactity of medium', ... ' (E/T) : ']; Physical.Cp = get_input_scalar(prompt, ... check_real,check_sign,check_int); disp(' '); % Physical.thermal_conduct check_real=1; check_sign=1; check_int=0; prompt = ['Input thermal conductivity of medium', ... ' (E/t/L/T) : ']; 7/16/2002TR_1D_model1_SS\read_program_input Page 5 of 13 Physical.thermal_conduct = get_input_scalar( ... prompt,check_real,check_sign,check_int); % PDL> Set Physical.thermal_diff equal to % (thermal_conductivity/density/Cp) Physical.thermal_diff = Physical.thermal_conduct / ... Physical.density / Physical.Cp; % REACTION DATA -------------------------------------------% PDL> Input the number of reactions, % ProbDim.num_rxn disp(' '); disp(' '); disp('Now, enter the kinetic data for the reaction network'); disp(' '); disp(' '); % ProbDim.num_rxn check_real=1; check_sign=1; check_int=1; prompt = 'Enter the number of reactions : '; ProbDim.num_rxn = get_input_scalar(prompt, ... check_real,check_sign,check_int); % PDL> Input the reaction data, one-by-one for each reaction : % Rxn.stoich_coeff, Rxn.is_rxn_elementary, % Rxn.ratelaw_exp, Rxn.k_ref, % Rxn.T_ref, Rxn.E_activ, Rxn.delta_H % allocate a structure for the reaction data Rxn.stoich_coeff = zeros(ProbDim.num_rxn,ProbDim.num_species);