@@ -121,24 +121,48 @@ scope.plot()`,
121121 id : 'chem' ,
122122 name : 'PathSim-Chem' ,
123123 shortName : 'chem' ,
124- description : 'Chemical engineering blocks for PathSim, including reactors, heat exchangers , and separation units .' ,
124+ description : 'Chemical engineering blocks for PathSim — IK-CAPE thermodynamic property correlations, activity coefficients, equations of state , and tritium processing .' ,
125125 logo : 'pathsim_chem_logo.png' ,
126126 docs : 'chem' ,
127127 api : 'chem/api' ,
128- examples : null ,
128+ examples : 'chem/examples' ,
129129 pypi : `${ external . pypi } /pathsim-chem` ,
130130 conda : null ,
131131 github : `${ external . github } /pathsim-chem` ,
132- features : [ ] ,
132+ features : [
133+ { title : 'IK-CAPE Standard' , description : '50+ blocks implementing DECHEMA thermodynamic equations' } ,
134+ { title : 'Property Correlations' , description : 'Antoine, Wagner, DIPPR, and 13 more temperature correlations' } ,
135+ { title : 'Activity Coefficients' , description : 'NRTL, Wilson, UNIQUAC, and Flory-Huggins models' } ,
136+ { title : 'Equations of State' , description : 'Peng-Robinson and Soave-Redlich-Kwong cubic EoS' } ,
137+ { title : 'Fugacity & Enthalpy' , description : 'Fugacity coefficients, excess enthalpy, departure functions' } ,
138+ { title : 'Tritium Processing' , description : 'GLC columns, TCAP cascades, bubblers, and splitters' }
139+ ] ,
133140 installation : [
134141 { name : 'pip' , command : 'pip install pathsim-chem' }
135142 ] ,
136- quickstart : null ,
143+ quickstart : {
144+ description : 'PathSim-Chem blocks follow the standard PathSim interface. Set inputs, call update, read outputs.' ,
145+ code : `from pathsim_chem.thermodynamics import Antoine
146+
147+ # Antoine vapor pressure correlation for water
148+ antoine = Antoine(a0=23.2256, a1=3835.18, a2=-45.343)
149+
150+ # Evaluate at 100 °C (373.15 K)
151+ antoine.inputs[0] = 373.15
152+ antoine.update(None)
153+ P_sat = antoine.outputs[0] # ≈ 101325 Pa` ,
154+ title : 'Example'
155+ } ,
137156 apiModules : [
138- { name : 'pathsim_chem.reactors' , description : 'CSTR, PFR, batch reactor blocks' } ,
139- { name : 'pathsim_chem.heat' , description : 'Heat exchangers, heaters, coolers' } ,
140- { name : 'pathsim_chem.separation' , description : 'Distillation, absorption columns' } ,
141- { name : 'pathsim_chem.thermo' , description : 'Thermodynamic property calculations' }
157+ { name : 'pathsim_chem.thermodynamics.correlations' , description : '16 pure component property correlations' } ,
158+ { name : 'pathsim_chem.thermodynamics.averages' , description : '10 mixing rules for calculation of averages' } ,
159+ { name : 'pathsim_chem.thermodynamics.activity_coefficients' , description : 'NRTL, Wilson, UNIQUAC, Flory-Huggins' } ,
160+ { name : 'pathsim_chem.thermodynamics.equations_of_state' , description : 'Peng-Robinson, Soave-Redlich-Kwong' } ,
161+ { name : 'pathsim_chem.thermodynamics.corrections' , description : 'Poynting correction, Henry\'s law' } ,
162+ { name : 'pathsim_chem.thermodynamics.fugacity_coefficients' , description : 'RKS, PR, and virial fugacity coefficients' } ,
163+ { name : 'pathsim_chem.thermodynamics.enthalpy' , description : 'Excess enthalpy and enthalpy departure' } ,
164+ { name : 'pathsim_chem.thermodynamics.reactions' , description : 'Equilibrium constants, rate constants, power-law rates' } ,
165+ { name : 'pathsim_chem.tritium' , description : 'GLC, TCAP, bubbler, splitter blocks' }
142166 ]
143167 } ,
144168 vehicle : {
0 commit comments