Professional Documents
Culture Documents
8 0 0 0 0
108.53 381.68 1 0.25 25 0.75 0 0 0 0
122.4 395.55 1 0.3 30 0.7 0 0 0 0
135.55 408.7 1 0.35 35 0.65 0 0 0 0
148.03 421.18 1 0.4 40 0.6 0 0 0 0
159.9 433.05 1 0.45 45 0.55 0 0 0 0
171.22 444.37 1 0.5 50 0.5 0 0 0 0
182.02 455.17 1 0.55 55 0.45 0 0 0 0
191.96 465.11 1 0.6 60 0.4 0 0 0 0
201.93 475.08 1 0.65 65 0.35 0 0 0 0
211.52 484.67 1 0.7 70 0.3 0 0 0 0
220.71 493.86 1 0.75 75 0.25 0 0 0 0
229.53 502.68 1 0.8 80 0.2 0 0 0 0
T/C T/K P/atm Reactant amounts/g V/m3 Gaseous species amounts/g
T T P B(amorphoB(%) B2O3(s) Volume B(g) B2(g) BO(g)
0 0 0 0 0 0 0 100 0.2 0.8
0 0 0 0 0 0 0 100 0.25 0.75
0 0 0 0 0 0 0 100 0.3 0.7
0 0 0 0 0 0 0 100 0.35 0.65
0 0 0 0 0 0 0 100 0.4 0.6
0 0 0 0 0 0 0 100 0.45 0.55
0 0 0 0 0 0 0 100 0.5 0.5
0 0 0 0 0 0 0 100 0.55 0.45
0 0 0 0 0 0 0 100 0.6 0.4
0 0 0 0 0 0 0 100 0.65 0.35
0 0 0 0 0 0 0 100 0.7 0.3
0 0 0 0 0 0 0 100 0.75 0.25
0 0 0 0 0 0 0 100 0.8 0.2
total solidsCondensed species amounts/g
BO2(g) B2O(g) B2O2(g) B2O3(g) O(g) O2(g) O3(g) B(beta) B2O3(s)
0 0 0 -14.5461 0 -60.8607 -0.07171 -0.00096 -46.0353 13
0 0 0 -13.6152 0 -56.9658 -0.08973 -0.001 -43.06 12
0 0 0 -12.6843 0 -53.0709 -0.10774 -0.00103 -40.0851 11
0 0 0 -11.7534 0 -49.176 -0.12572 -0.00107 -37.1105 10
0 0 0 -10.8225 0 -45.2812 -0.14366 -0.00111 -34.1362 9
0 0 0 -9.89156 0 -41.3863 -0.16157 -0.00114 -31.1622 8
0 0 0 -8.96066 0 -37.4914 -0.17944 -0.00117 -28.1885 7
0 0 0 -8.02977 0 -33.5965 -0.19727 -0.00121 -25.215 6
0 0 0 -7.09946 0 -29.7041 -0.21507 -0.00124 -22.2448 5
0 0 0 -6.16846 0 -25.8088 -0.23282 -0.00127 -19.2713 4
0 0 0 -5.23743 0 -21.9134 -0.25053 -0.0013 -16.2979 3
0 0 0 -4.30642 0 -18.0181 -0.26821 -0.00133 -13.3248 2
0 0 0 -3.37544 0 -14.1228 -0.28586 -0.00136 -10.3521 1
ed species amounts/g System entSystem entSystem freeSystem entSystem entSystem free energy change/kJ
B(amorphoB2O3(l) B(l) System entSystem entSystem freSystem entSystem entSystem free energy change
ee energy change/kJ
ee energy change
T/C P/atm Reactant amounts/g V/m3 Gaseous species amounts/g
T P B(amorphoB2O3(s) Volume B(g) B2(g) BO(g) BO2(g) B2O(g)
171.23 1.00E+00 2.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
183.19 1.00E+00 2.50E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
192.36 1.00E+00 3.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
199.6 1.00E+00 3.50E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
205.46 1.00E+00 4.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
209.97 1.00E+00 4.50E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
214.09 1.00E+00 5.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
217.63 1.00E+00 5.50E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
220.67 1.00E+00 6.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
223.32 1.00E+00 6.50E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
225.64 1.00E+00 7.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
227.69 1.00E+00 7.50E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
229.53 1.00E+00 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
158.61 1.00E+00 2.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 2.50E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
181.06 1.00E+00 3.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
188.96 1.00E+00 3.50E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
195.45 1.00E+00 4.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
200.87 1.00E+00 4.50E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
205.11 1.00E+00 5.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
209.1 1.00E+00 5.50E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
212.58 1.00E+00 6.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
215.63 1.00E+00 6.50E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
218.32 1.00E+00 7.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
220.71 1.00E+00 7.50E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
222.85 1.00E+00 8.00E-01 2.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
148.02 1.00E+00 2.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
160.95 1.00E+00 2.50E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 3.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
179.57 1.00E+00 3.50E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
186.51 1.00E+00 4.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
192.36 1.00E+00 4.50E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
197.36 1.00E+00 5.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
201.33 1.00E+00 5.50E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
205.14 1.00E+00 6.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
208.52 1.00E+00 6.50E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
211.52 1.00E+00 7.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
214.2 1.00E+00 7.50E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
216.6 1.00E+00 8.00E-01 3.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
139.01 1.00E+00 2.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
152.05 1.00E+00 2.50E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
162.56 1.00E+00 3.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 3.50E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
178.48 1.00E+00 4.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
184.65 1.00E+00 4.50E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
189.97 1.00E+00 5.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
194.18 1.00E+00 5.50E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
198.28 1.00E+00 6.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
201.93 1.00E+00 6.50E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
205.19 1.00E+00 7.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
208.11 1.00E+00 7.50E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
210.74 1.00E+00 8.00E-01 3.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
131.24 1.00E+00 2.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
144.26 1.00E+00 2.50E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
154.88 1.00E+00 3.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
163.73 1.00E+00 3.50E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 4.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
177.63 1.00E+00 4.50E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
183.19 1.00E+00 5.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
188.06 1.00E+00 5.50E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
191.96 1.00E+00 6.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
195.81 1.00E+00 6.50E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
199.28 1.00E+00 7.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
202.4 1.00E+00 7.50E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
205.23 1.00E+00 8.00E-01 4.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
124.47 1.00E+00 2.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
137.37 1.00E+00 2.50E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
148.03 1.00E+00 3.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
156.99 1.00E+00 3.50E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
164.63 1.00E+00 4.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 4.50E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
176.97 1.00E+00 5.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
182.02 1.00E+00 5.50E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
186.06 1.00E+00 6.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
190.09 1.00E+00 6.50E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
193.75 1.00E+00 7.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
197.05 1.00E+00 7.50E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
200.04 1.00E+00 8.00E-01 4.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
118.52 1.00E+00 2.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
131.24 1.00E+00 2.50E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
141.87 1.00E+00 3.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
150.87 1.00E+00 3.50E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
158.61 1.00E+00 4.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
165.33 1.00E+00 4.50E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 5.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
176.42 1.00E+00 5.50E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
181.06 1.00E+00 6.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
184.8 1.00E+00 6.50E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
188.56 1.00E+00 7.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
192.01 1.00E+00 7.50E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
195.14 1.00E+00 8.00E-01 5.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
113.24 1.00E+00 2.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
125.76 1.00E+00 2.50E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
136.3 1.00E+00 3.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
145.31 1.00E+00 3.50E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
153.1 1.00E+00 4.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
159.9 1.00E+00 4.50E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
165.9 1.00E+00 5.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 5.50E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
175.98 1.00E+00 6.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
179.8 1.00E+00 6.50E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
183.68 1.00E+00 7.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
187.25 1.00E+00 7.50E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
190.52 1.00E+00 8.00E-01 5.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
108.53 1.00E+00 2.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
120.81 1.00E+00 2.50E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
131.24 1.00E+00 3.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
140.22 1.00E+00 3.50E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
148.03 1.00E+00 4.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
154.89 1.00E+00 4.50E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
160.95 1.00E+00 5.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
166.36 1.00E+00 5.50E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 6.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
175.1 1.00E+00 6.50E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
179.09 1.00E+00 7.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
182.77 1.00E+00 7.50E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
186.14 1.00E+00 8.00E-01 6.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
104.3 1.00E+00 2.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
116.33 1.00E+00 2.50E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
126.63 1.00E+00 3.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
135.55 1.00E+00 3.50E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
143.35 1.00E+00 4.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
150.23 1.00E+00 4.50E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
156.35 1.00E+00 5.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
161.83 1.00E+00 5.50E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
166.76 1.00E+00 6.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
171.22 1.00E+00 6.50E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
174.82 1.00E+00 7.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
178.53 1.00E+00 7.50E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
181.98 1.00E+00 8.00E-01 6.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
100.48 1.00E+00 2.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
112.26 1.00E+00 2.50E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
122.4 1.00E+00 3.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
131.24 1.00E+00 3.50E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
139.02 1.00E+00 4.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
145.9 1.00E+00 4.50E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
152.05 1.00E+00 5.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
157.57 1.00E+00 5.50E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
162.56 1.00E+00 6.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
167.09 1.00E+00 6.50E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
170.73 1.00E+00 7.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
174.51 1.00E+00 7.50E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
178.04 1.00E+00 8.00E-01 7.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
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108.53 1.00E+00 2.50E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
118.52 1.00E+00 3.00E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
127.27 1.00E+00 3.50E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
134.99 1.00E+00 4.00E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
141.87 1.00E+00 4.50E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
148.03 1.00E+00 5.00E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
153.58 1.00E+00 5.50E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
158.61 1.00E+00 6.00E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
163.19 1.00E+00 6.50E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
166.86 1.00E+00 7.00E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
170.7 1.00E+00 7.50E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
174.29 1.00E+00 8.00E-01 7.50E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
93.85 1.00E+00 2.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
105.11 1.00E+00 2.50E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
114.93 1.00E+00 3.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
123.58 1.00E+00 3.50E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
131.24 1.00E+00 4.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
138.1 1.00E+00 4.50E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
144.26 1.00E+00 5.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
149.82 1.00E+00 5.50E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
154.89 1.00E+00 6.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
159.5 1.00E+00 6.50E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
163.19 1.00E+00 7.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
167.63 1.00E+00 7.50E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
170.79 1.00E+00 8.00E-01 8.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
Err:502 Err:502 Err:502 Err:502 Err:502 0.2 0.2 Err:502 Err:502 Err:502
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Err:502 Err:502 Err:502 Err:502 Err:502 0.3 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.35 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.4 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.45 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.5 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.55 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.6 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.65 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.7 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.75 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 0.8 0.8 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502
Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502 Err:502
System entSystem entSystem freeSystem entSystem entSystem free energy change/kJ
System entSystem entSystem freSystem entSystem entSystem free energy change
-3.58E+00 0.00E+00 -1.50E+01 -7.18E-02 -4.70E-04 -1.13E+01
-3.57E+00 0.00E+00 -1.49E+01 -8.97E-02 -5.44E-04 -1.12E+01
-3.55E+00 0.00E+00 -1.49E+01 -1.08E-01 -6.19E-04 -1.11E+01
-3.53E+00 0.00E+00 -1.48E+01 -1.25E-01 -6.93E-04 -1.10E+01
-3.51E+00 0.00E+00 -1.47E+01 -1.43E-01 -7.67E-04 -1.10E+01
-3.50E+00 0.00E+00 -1.46E+01 -1.61E-01 -8.40E-04 -1.09E+01
-3.48E+00 0.00E+00 -1.46E+01 -1.79E-01 -9.14E-04 -1.08E+01
-3.46E+00 0.00E+00 -1.45E+01 -1.97E-01 -9.87E-04 -1.07E+01
-3.45E+00 0.00E+00 -1.44E+01 -2.15E-01 -1.06E-03 -1.07E+01
-3.43E+00 0.00E+00 -1.43E+01 -2.32E-01 -1.13E-03 -1.06E+01
-3.41E+00 0.00E+00 -1.43E+01 -2.50E-01 -1.21E-03 -1.05E+01
-3.39E+00 0.00E+00 -1.42E+01 -2.68E-01 -1.28E-03 -1.04E+01
-3.38E+00 0.00E+00 -1.41E+01 -2.86E-01 -1.36E-03 -1.04E+01
-4.50E+00 0.00E+00 -1.88E+01 -7.18E-02 -5.12E-04 -1.42E+01
-4.48E+00 0.00E+00 -1.87E+01 -8.97E-02 -5.87E-04 -1.41E+01
-4.46E+00 0.00E+00 -1.87E+01 -1.08E-01 -6.62E-04 -1.40E+01
-4.45E+00 0.00E+00 -1.86E+01 -1.25E-01 -7.36E-04 -1.39E+01
-4.43E+00 0.00E+00 -1.85E+01 -1.43E-01 -8.10E-04 -1.39E+01
-4.41E+00 0.00E+00 -1.85E+01 -1.61E-01 -8.85E-04 -1.38E+01
-4.39E+00 0.00E+00 -1.84E+01 -1.79E-01 -9.58E-04 -1.37E+01
-4.38E+00 0.00E+00 -1.83E+01 -1.97E-01 -1.03E-03 -1.36E+01
-4.36E+00 0.00E+00 -1.82E+01 -2.15E-01 -1.11E-03 -1.36E+01
-4.34E+00 0.00E+00 -1.82E+01 -2.33E-01 -1.18E-03 -1.35E+01
-4.32E+00 0.00E+00 -1.81E+01 -2.50E-01 -1.25E-03 -1.34E+01
-4.31E+00 0.00E+00 -1.80E+01 -2.68E-01 -1.33E-03 -1.33E+01
-4.29E+00 0.00E+00 -1.79E+01 -2.86E-01 -1.40E-03 -1.32E+01
-5.41E+00 0.00E+00 -2.26E+01 -7.18E-02 -5.53E-04 -1.71E+01
-5.39E+00 0.00E+00 -2.26E+01 -8.98E-02 -6.29E-04 -1.70E+01
-5.38E+00 0.00E+00 -2.25E+01 -1.08E-01 -7.04E-04 -1.69E+01
-5.36E+00 0.00E+00 -2.24E+01 -1.26E-01 -7.79E-04 -1.68E+01
-5.34E+00 0.00E+00 -2.23E+01 -1.43E-01 -8.54E-04 -1.68E+01
-5.32E+00 0.00E+00 -2.23E+01 -1.61E-01 -9.28E-04 -1.67E+01
-5.31E+00 0.00E+00 -2.22E+01 -1.79E-01 -1.00E-03 -1.66E+01
-5.29E+00 0.00E+00 -2.21E+01 -1.97E-01 -1.08E-03 -1.65E+01
-5.27E+00 0.00E+00 -2.21E+01 -2.15E-01 -1.15E-03 -1.65E+01
-5.25E+00 0.00E+00 -2.20E+01 -2.33E-01 -1.22E-03 -1.64E+01
-5.24E+00 0.00E+00 -2.19E+01 -2.51E-01 -1.30E-03 -1.63E+01
-5.22E+00 0.00E+00 -2.18E+01 -2.68E-01 -1.37E-03 -1.62E+01
-5.20E+00 0.00E+00 -2.18E+01 -2.86E-01 -1.44E-03 -1.61E+01
-6.32E+00 0.00E+00 -2.65E+01 -7.18E-02 -5.95E-04 -2.00E+01
-6.31E+00 0.00E+00 -2.64E+01 -8.98E-02 -6.71E-04 -1.99E+01
-6.29E+00 0.00E+00 -2.63E+01 -1.08E-01 -7.47E-04 -1.98E+01
-6.27E+00 0.00E+00 -2.62E+01 -1.26E-01 -8.22E-04 -1.97E+01
-6.26E+00 0.00E+00 -2.62E+01 -1.44E-01 -8.97E-04 -1.97E+01
-6.24E+00 0.00E+00 -2.61E+01 -1.61E-01 -9.71E-04 -1.96E+01
-6.22E+00 0.00E+00 -2.60E+01 -1.79E-01 -1.05E-03 -1.95E+01
-6.20E+00 0.00E+00 -2.60E+01 -1.97E-01 -1.12E-03 -1.94E+01
-6.19E+00 0.00E+00 -2.59E+01 -2.15E-01 -1.19E-03 -1.93E+01
-6.17E+00 0.00E+00 -2.58E+01 -2.33E-01 -1.27E-03 -1.93E+01
-6.15E+00 0.00E+00 -2.57E+01 -2.51E-01 -1.34E-03 -1.92E+01
-6.13E+00 0.00E+00 -2.57E+01 -2.69E-01 -1.41E-03 -1.91E+01
-6.12E+00 0.00E+00 -2.56E+01 -2.86E-01 -1.49E-03 -1.90E+01
-7.24E+00 0.00E+00 -3.03E+01 -7.18E-02 -6.36E-04 -2.29E+01
-7.22E+00 0.00E+00 -3.02E+01 -8.98E-02 -7.12E-04 -2.28E+01
-7.20E+00 0.00E+00 -3.01E+01 -1.08E-01 -7.88E-04 -2.27E+01
-7.19E+00 0.00E+00 -3.01E+01 -1.26E-01 -8.64E-04 -2.26E+01
-7.17E+00 0.00E+00 -3.00E+01 -1.44E-01 -9.39E-04 -2.26E+01
-7.15E+00 0.00E+00 -2.99E+01 -1.61E-01 -1.01E-03 -2.25E+01
-7.13E+00 0.00E+00 -2.98E+01 -1.79E-01 -1.09E-03 -2.24E+01
-7.12E+00 0.00E+00 -2.98E+01 -1.97E-01 -1.16E-03 -2.23E+01
-7.10E+00 0.00E+00 -2.97E+01 -2.15E-01 -1.24E-03 -2.22E+01
-7.08E+00 0.00E+00 -2.96E+01 -2.33E-01 -1.31E-03 -2.22E+01
-7.06E+00 0.00E+00 -2.96E+01 -2.51E-01 -1.38E-03 -2.21E+01
-7.05E+00 0.00E+00 -2.95E+01 -2.69E-01 -1.46E-03 -2.20E+01
-7.03E+00 0.00E+00 -2.94E+01 -2.86E-01 -1.53E-03 -2.19E+01
-8.15E+00 0.00E+00 -3.41E+01 -7.18E-02 -6.76E-04 -2.58E+01
-8.13E+00 0.00E+00 -3.40E+01 -8.98E-02 -7.54E-04 -2.57E+01
-8.12E+00 0.00E+00 -3.40E+01 -1.08E-01 -8.30E-04 -2.56E+01
-8.10E+00 0.00E+00 -3.39E+01 -1.26E-01 -9.06E-04 -2.55E+01
-8.08E+00 0.00E+00 -3.38E+01 -1.44E-01 -9.81E-04 -2.54E+01
-8.06E+00 0.00E+00 -3.37E+01 -1.61E-01 -1.06E-03 -2.54E+01
-8.05E+00 0.00E+00 -3.37E+01 -1.79E-01 -1.13E-03 -2.53E+01
-8.03E+00 0.00E+00 -3.36E+01 -1.97E-01 -1.21E-03 -2.52E+01
-8.01E+00 0.00E+00 -3.35E+01 -2.15E-01 -1.28E-03 -2.51E+01
-8.00E+00 0.00E+00 -3.35E+01 -2.33E-01 -1.35E-03 -2.51E+01
-7.98E+00 0.00E+00 -3.34E+01 -2.51E-01 -1.43E-03 -2.50E+01
-7.96E+00 0.00E+00 -3.33E+01 -2.69E-01 -1.50E-03 -2.49E+01
-7.94E+00 0.00E+00 -3.32E+01 -2.87E-01 -1.58E-03 -2.48E+01
-9.07E+00 0.00E+00 -3.79E+01 -7.18E-02 -7.17E-04 -2.87E+01
-9.05E+00 0.00E+00 -3.79E+01 -8.98E-02 -7.95E-04 -2.86E+01
-9.03E+00 0.00E+00 -3.78E+01 -1.08E-01 -8.71E-04 -2.85E+01
-9.01E+00 0.00E+00 -3.77E+01 -1.26E-01 -9.48E-04 -2.84E+01
-9.00E+00 0.00E+00 -3.76E+01 -1.44E-01 -1.02E-03 -2.83E+01
-8.98E+00 0.00E+00 -3.76E+01 -1.62E-01 -1.10E-03 -2.83E+01
-8.96E+00 0.00E+00 -3.75E+01 -1.79E-01 -1.17E-03 -2.82E+01
-8.94E+00 0.00E+00 -3.74E+01 -1.97E-01 -1.25E-03 -2.81E+01
-8.93E+00 0.00E+00 -3.73E+01 -2.15E-01 -1.32E-03 -2.80E+01
-8.91E+00 0.00E+00 -3.73E+01 -2.33E-01 -1.40E-03 -2.80E+01
-8.89E+00 0.00E+00 -3.72E+01 -2.51E-01 -1.47E-03 -2.79E+01
-8.87E+00 0.00E+00 -3.71E+01 -2.69E-01 -1.55E-03 -2.78E+01
-8.86E+00 0.00E+00 -3.71E+01 -2.87E-01 -1.62E-03 -2.77E+01
-9.98E+00 0.00E+00 -4.18E+01 -7.18E-02 -7.57E-04 -3.16E+01
-9.96E+00 0.00E+00 -4.17E+01 -8.98E-02 -8.35E-04 -3.15E+01
-9.94E+00 0.00E+00 -4.16E+01 -1.08E-01 -9.12E-04 -3.14E+01
-9.93E+00 0.00E+00 -4.15E+01 -1.26E-01 -9.89E-04 -3.13E+01
-9.91E+00 0.00E+00 -4.15E+01 -1.44E-01 -1.07E-03 -3.12E+01
-9.89E+00 0.00E+00 -4.14E+01 -1.62E-01 -1.14E-03 -3.12E+01
-9.87E+00 0.00E+00 -4.13E+01 -1.79E-01 -1.22E-03 -3.11E+01
-9.86E+00 0.00E+00 -4.12E+01 -1.97E-01 -1.29E-03 -3.10E+01
-9.84E+00 0.00E+00 -4.12E+01 -2.15E-01 -1.37E-03 -3.09E+01
-9.82E+00 0.00E+00 -4.11E+01 -2.33E-01 -1.44E-03 -3.09E+01
-9.81E+00 0.00E+00 -4.10E+01 -2.51E-01 -1.51E-03 -3.08E+01
-9.79E+00 0.00E+00 -4.10E+01 -2.69E-01 -1.59E-03 -3.07E+01
-9.77E+00 0.00E+00 -4.09E+01 -2.87E-01 -1.66E-03 -3.06E+01
-1.09E+01 0.00E+00 -4.56E+01 -7.18E-02 -7.97E-04 -3.44E+01
-1.09E+01 0.00E+00 -4.55E+01 -8.98E-02 -8.76E-04 -3.44E+01
-1.09E+01 0.00E+00 -4.54E+01 -1.08E-01 -9.53E-04 -3.43E+01
-1.08E+01 0.00E+00 -4.54E+01 -1.26E-01 -1.03E-03 -3.42E+01
-1.08E+01 0.00E+00 -4.53E+01 -1.44E-01 -1.11E-03 -3.41E+01
-1.08E+01 0.00E+00 -4.52E+01 -1.62E-01 -1.18E-03 -3.41E+01
-1.08E+01 0.00E+00 -4.51E+01 -1.80E-01 -1.26E-03 -3.40E+01
-1.08E+01 0.00E+00 -4.51E+01 -1.97E-01 -1.33E-03 -3.39E+01
-1.08E+01 0.00E+00 -4.50E+01 -2.15E-01 -1.41E-03 -3.38E+01
-1.07E+01 0.00E+00 -4.49E+01 -2.33E-01 -1.48E-03 -3.38E+01
-1.07E+01 0.00E+00 -4.48E+01 -2.51E-01 -1.56E-03 -3.37E+01
-1.07E+01 0.00E+00 -4.48E+01 -2.69E-01 -1.63E-03 -3.36E+01
-1.07E+01 0.00E+00 -4.47E+01 -2.87E-01 -1.71E-03 -3.35E+01
-1.18E+01 0.00E+00 -4.94E+01 -7.18E-02 -8.37E-04 -3.73E+01
-1.18E+01 0.00E+00 -4.93E+01 -8.98E-02 -9.16E-04 -3.73E+01
-1.18E+01 0.00E+00 -4.92E+01 -1.08E-01 -9.94E-04 -3.72E+01
-1.18E+01 0.00E+00 -4.92E+01 -1.26E-01 -1.07E-03 -3.71E+01
-1.17E+01 0.00E+00 -4.91E+01 -1.44E-01 -1.15E-03 -3.70E+01
-1.17E+01 0.00E+00 -4.90E+01 -1.62E-01 -1.22E-03 -3.70E+01
-1.17E+01 0.00E+00 -4.90E+01 -1.80E-01 -1.30E-03 -3.69E+01
-1.17E+01 0.00E+00 -4.89E+01 -1.97E-01 -1.38E-03 -3.68E+01
-1.17E+01 0.00E+00 -4.88E+01 -2.15E-01 -1.45E-03 -3.67E+01
-1.16E+01 0.00E+00 -4.87E+01 -2.33E-01 -1.53E-03 -3.66E+01
-1.16E+01 0.00E+00 -4.87E+01 -2.51E-01 -1.60E-03 -3.66E+01
-1.16E+01 0.00E+00 -4.86E+01 -2.69E-01 -1.67E-03 -3.65E+01
-1.16E+01 0.00E+00 -4.85E+01 -2.87E-01 -1.75E-03 -3.64E+01
-1.27E+01 0.00E+00 -5.32E+01 -7.17E-02 -8.77E-04 -4.02E+01
-1.27E+01 0.00E+00 -5.31E+01 -8.97E-02 -9.56E-04 -4.02E+01
-1.27E+01 0.00E+00 -5.31E+01 -1.08E-01 -1.03E-03 -4.01E+01
-1.27E+01 0.00E+00 -5.30E+01 -1.26E-01 -1.11E-03 -4.00E+01
-1.26E+01 0.00E+00 -5.29E+01 -1.44E-01 -1.19E-03 -3.99E+01
-1.26E+01 0.00E+00 -5.29E+01 -1.62E-01 -1.27E-03 -3.99E+01
-1.26E+01 0.00E+00 -5.28E+01 -1.80E-01 -1.34E-03 -3.98E+01
-1.26E+01 0.00E+00 -5.27E+01 -1.97E-01 -1.42E-03 -3.97E+01
-1.26E+01 0.00E+00 -5.26E+01 -2.15E-01 -1.49E-03 -3.96E+01
-1.26E+01 0.00E+00 -5.26E+01 -2.33E-01 -1.57E-03 -3.95E+01
-1.25E+01 0.00E+00 -5.25E+01 -2.51E-01 -1.64E-03 -3.95E+01
-1.25E+01 0.00E+00 -5.24E+01 -2.69E-01 -1.72E-03 -3.94E+01
-1.25E+01 0.00E+00 -5.23E+01 -2.87E-01 -1.79E-03 -3.93E+01
-1.36E+01 0.00E+00 -5.70E+01 -7.17E-02 -9.17E-04 -4.31E+01
-1.36E+01 0.00E+00 -5.70E+01 -8.97E-02 -9.97E-04 -4.31E+01
-1.36E+01 0.00E+00 -5.69E+01 -1.08E-01 -1.08E-03 -4.30E+01
-1.36E+01 0.00E+00 -5.68E+01 -1.26E-01 -1.15E-03 -4.29E+01
-1.36E+01 0.00E+00 -5.67E+01 -1.44E-01 -1.23E-03 -4.28E+01
-1.35E+01 0.00E+00 -5.67E+01 -1.62E-01 -1.31E-03 -4.27E+01
-1.35E+01 0.00E+00 -5.66E+01 -1.80E-01 -1.38E-03 -4.27E+01
-1.35E+01 0.00E+00 -5.65E+01 -1.98E-01 -1.46E-03 -4.26E+01
-1.35E+01 0.00E+00 -5.65E+01 -2.15E-01 -1.54E-03 -4.25E+01
-1.35E+01 0.00E+00 -5.64E+01 -2.33E-01 -1.61E-03 -4.24E+01
-1.35E+01 0.00E+00 -5.63E+01 -2.51E-01 -1.68E-03 -4.24E+01
-1.34E+01 0.00E+00 -5.62E+01 -2.69E-01 -1.76E-03 -4.23E+01
-1.34E+01 0.00E+00 -5.62E+01 -2.87E-01 -1.83E-03 -4.22E+01
-1.45E+01 0.00E+00 -6.09E+01 -7.17E-02 -9.57E-04 -4.60E+01
-1.45E+01 0.00E+00 -6.08E+01 -8.97E-02 -1.04E-03 -4.60E+01
-1.45E+01 0.00E+00 -6.07E+01 -1.08E-01 -1.12E-03 -4.59E+01
-1.45E+01 0.00E+00 -6.06E+01 -1.26E-01 -1.19E-03 -4.58E+01
-1.45E+01 0.00E+00 -6.06E+01 -1.44E-01 -1.27E-03 -4.57E+01
-1.45E+01 0.00E+00 -6.05E+01 -1.62E-01 -1.35E-03 -4.56E+01
-1.44E+01 0.00E+00 -6.04E+01 -1.80E-01 -1.42E-03 -4.56E+01
-1.44E+01 0.00E+00 -6.04E+01 -1.98E-01 -1.50E-03 -4.55E+01
-1.44E+01 0.00E+00 -6.03E+01 -2.15E-01 -1.58E-03 -4.54E+01
-1.44E+01 0.00E+00 -6.02E+01 -2.33E-01 -1.65E-03 -4.53E+01
-1.44E+01 0.00E+00 -6.01E+01 -2.51E-01 -1.73E-03 -4.53E+01
-1.44E+01 0.00E+00 -6.01E+01 -2.69E-01 -1.80E-03 -4.52E+01
-1.43E+01 0.00E+00 -6.00E+01 -2.87E-01 -1.88E-03 -4.51E+01
80 502.68
75 493.86
70 484.67
65 475.08
60 465.11
Temperature, K
55 455.17 510
50 444.37
490
45 433.05
40 421.18 470
35 408.7 450
30 395.55
25 381.68 430
20 367 410
390
370
350
20 30 40 50 60 70 80
B content, wt-%
total solidsCondensed species amounts/g
BO2(g) B2O(g) B2O2(g) B2O3(g) O(g) O2(g) O3(g) B(beta) B2O3(s)
0 0 0 0 0 0 0 100 0.8 0.2
0 0 0 0 0 0 0 100 0.75 0.25
0 0 0 0 0 0 0 100 0.7 0.3
0 0 0 0 0 0 0 100 0.65 0.35
0 0 0 0 0 0 0 100 0.6 0.4
0 0 0 0 0 0 0 100 0.55 0.45
0 0 0 0 0 0 0 100 0.5 0.5
0 0 0 0 0 0 0 100 0.45 0.55
0 0 0 0 0 0 0 100 0.4 0.6
0 0 0 0 0 0 0 100 0.35 0.65
0 0 0 0 0 0 0 100 0.3 0.7
0 0 0 0 0 0 0 100 0.25 0.75
0 0 0 0 0 0 0 100 0.2 0.8
100
90
80
70
Phase amount, wt-%
60 Solids
50 Liquid
40
30
20
10
0
20 30 40 50 60 70 80
70 80
B content, wt-%
ed species amounts/g System entSystem entSystem freeSystem entSystem entSystem free energy change/kJ
B(amorphoB2O3(l) B(l) System entSystem entSystem freSystem entSystem entSystem free energy change
0 0 0 -3.37544 0 -14.1228 -0.28586 -0.00136 -10.3521
0 0 0 -4.30642 0 -18.0181 -0.26821 -0.00133 -13.3248
0 0 0 -5.23743 0 -21.9134 -0.25053 -0.0013 -16.2979
0 0 0 -6.16846 0 -25.8088 -0.23282 -0.00127 -19.2713
0 0 0 -7.09946 0 -29.7041 -0.21507 -0.00124 -22.2448
0 0 0 -8.02977 0 -33.5965 -0.19727 -0.00121 -25.215
0 0 0 -8.96066 0 -37.4914 -0.17944 -0.00117 -28.1885
0 0 0 -9.89156 0 -41.3863 -0.16157 -0.00114 -31.1622
0 0 0 -10.8225 0 -45.2812 -0.14366 -0.00111 -34.1362
0 0 0 -11.7534 0 -49.176 -0.12572 -0.00107 -37.1105
0 0 0 -12.6843 0 -53.0709 -0.10774 -0.00103 -40.0851
0 0 0 -13.6152 0 -56.9658 -0.08973 -0.001 -43.06
0 0 0 -14.5461 0 -60.8607 -0.07171 -0.00096 -46.0353
A d ia b a t ic t e m p e r a t u r e , k K
0.50268 80 0.8 0.2 0 0 0 80 80 20
80 0.6
F r a c tio n , w t-%
0.5
60
0.4
40 0.3
0.2
20 B2O3(s)
% 0.1
B(beta) %
0 0
20 30 40 50 60 70 80
B fuel content, wt-%
B2O3(l) % B(l) %
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
No gases were formed according to Ekvi
T/C Reactant amounts/g Gaseous species amounts/g
T B(amorphoB2O3(s) B(g) B2(g) BO(g) BO2(g) B2O(g) B2O2(g) B2O3(g)
25 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
35.8 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
46.6 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
57.4 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
68.2 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
79 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
89.8 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
100.6 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
111.4 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
122.2 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
133 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
143.8 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
154.6 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
165.4 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
176.2 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
187 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
197.8 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
208.6 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
219.4 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
230.2 8.00E-01 2.00E-01 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00
M a s s fr a ctio n , w t-%
0.00E+00
0.00E+00
0.00E+00
0.00E+00
0.00E+00 100
0.00E+00
0.00E+00 80
Colu
0.00E+00 mn B
60
0.00E+00 Colu
0.00E+00 mn
40 C
0.00E+00
0.00E+00
20
0.00E+00
0.00E+00 0
0.00E+00 300 500 700 900 1100 1300 1500 1700
Temperature, K
M a s s fr a c tio n , w t-%
0.9
0.8
Col
0.7
um
0.6 n
G
0.5
Col
0.4 um
nH
0.3
0.2
0.1
0.0
300 500 700 900 1100 1300 15001700
Temperature, K
T/C T/K System entSystem entEnthalpy MJ/kg
T K System entSystem enthalpy change
E n th a lp y, M J k g 1
25 298.15 -3.65799 -0.28271 0.28255
35.8 308.95 -3.64723 -0.28373 0.27179
46.6 319.75 -3.6358 -0.28459 0.26036
57.4 330.55 -3.62373 -0.2853 0.24829
68.2 341.35 -3.6111 -0.28589 0.23566 0.3
79 352.15 -3.59794 -0.28635 0.2225
89.8 362.95 -3.58429 -0.28672 0.20885 0.3