From b0a7b7167bf9132a59b60a7168adcd733476165a Mon Sep 17 00:00:00 2001
From: ignis <ignis@postech.ac.kr>
Date: Wed, 17 Nov 2021 23:52:36 +0900
Subject: [PATCH] more comments, gathering input parameter, fix bug in moisture
 content

---
 coal.py | 50 ++++++++++++++++++++++++++++++++------------------
 1 file changed, 32 insertions(+), 18 deletions(-)

diff --git a/coal.py b/coal.py
index 84f8c81..588a243 100644
--- a/coal.py
+++ b/coal.py
@@ -2,23 +2,47 @@ from functools import reduce
 
 import cantera as ct
 
+"""#############################################################################
+Input Parameter Section
+#############################################################################"""
+
 # Air stream Temperatures and Mass flow rates
 t = list(map(float, ''' 348.15  315.65  600.79  308.54   318.03  306.11  339.45 '''.split()))
 m = list(map(float, ''' 114.4   6.94    362.92  7.25     7.25    7.25    7.25 '''.split()))
 
-stdT = 298.15
+stdT = 298.15       # Temperature at standard state, K
 
-coalT = 348.15
-coalMfr = 56.8813
+coalT = 348.15      # K
+coalMfr = 56.8813   # kg/s
 
-moist = 0.1551
-vm = 0.3047
-fc = 0.4347
-ash = 0.1055
+# Ultimate Analysis - percentage by weight 
+coal_ua = {
+    "C":  81.41,
+    "H2":  5.47,
+    "O2": 10.83,
+    "N2": 1.72,
+    "S":   0.57,
+}
+
+# Proximate Analysis - fraction by weight 
+moist   = 0.1551
+vm      = 0.3047
+fc      = 0.4347
+ash     = 0.1055
 
 vm_fc = 1. - moist - ash
 fuelMfr = coalMfr
 
+# add mass of moisture and ash
+coal_ua['N2'] += 100 * ash / vm_fc
+coal_ua["H2O"] = 100 * moist / vm_fc
+
+# Boiler Performance Data
+#  - Heat Transfer Rates
+heatXferPipe = 677656911.111 # J/s
+heatXferWall = 592070866.667 # J/s
+
+# Loading thermo data of species to consider
 gri_species = {S.name: S for S in ct.Species.listFromFile('gri30.cti')}
 nasa_species = {S.name: S for S in ct.Species.listFromFile('nasa_gas.cti')}
 nasa_species.update(gri_species)
@@ -51,14 +75,7 @@ Dummy gaseous coal object containing elementary composition
 #############################################################################"""
 
 coal = ct.Solution(thermo='IdealGas', species=system_species)
-coal.TPY = 348.15, ct.one_atm, {
-    "C":  81.41,
-        "H2":  5.47,
-        "O2": 10.83,
-        "N2": 1.72 + 100 * ash / vm_fc,
-        "S":   0.57,
-        "H2O" : 100 * ash / vm_fc,
-}
+coal.TPY = coalT, ct.one_atm, coal_ua
 
 
 """#############################################################################
@@ -158,9 +175,6 @@ reactant.phase()
 ## Heat Transfer to pipes and walls
 ################################################################################
 
-heatXferPipe = 677656911.111 # J/s
-heatXferWall = 592070866.667 # J/s
-
 reactant.HP = reactant.enthalpy/reactant.mass - (heatXferWall+heatXferPipe)/reactant.mass, ct.one_atm
 print("After Heat Transfer")
 reactant.phase()