SOLUTION 1 # define xpt data from Michels et al., (1935) Proc. Royal Soc. 153, 201, 214; (1937) Proc. Royal Soc. 160, 358 USER_PRINT # 25 oC... 10 data 1.195, 0.955, 0.796, 0.684, 0.596, 0.528, 0.476, 0.432, 0.490, 0.324, 0.246, 0.200, 0.058, 0.053, 0.049, 0.046, 0.043, 0.040, 0.038, 0.178, 0.114, 0.068, 0.062 12 for i = 1 to 23 14 read V 16 put(V, 2, i) 18 next i 20 data 18.537, 22.572, 26.371, 29.865, 33.307, 36.494, 39.407, 42.170, 38.585, 50.489, 57.871, 62.155, 74.739, 109.870, 180.783, 308.620, 523.452, 864.844, 1325.170, 63.450, 63.462, 63.459, 63.550 21 restore 20 22 for i = 1 to 23 24 read P 26 put(P, 1, 2, i) 28 next i # 50 oC... 30 data 0.476, 0.324, 0.246, 0.200, 0.168, 0.146, 0.132, 0.119, 0.109, 0.109, 0.099, 0.091, 0.084, 0.078, 0.073, 0.068, 0.064, 0.064, 0.058, 0.053, 0.049, 0.046, 0.043 32 for i = 1 to 23 34 read V 36 put(V, 3, i) 38 next i 40 data 44.982, 59.524, 70.782, 79.158, 85.738, 90.682, 94.048, 97.232, 100.111, 100.118, 103.257, 106.665, 110.491, 115.297, 121.776, 130.848, 142.376, 145.229, 180.898, 245.038, 350.279, 518.686, 781.537 42 for i = 1 to 23 44 read P 46 put(P, 1, 3, i) 48 next i # 100 oC... 50 data 0.476, 0.490, 0.324, 0.246, 0.200, 0.168, 0.146, 0.132, 0.119, 0.109, 0.099, 0.091, 0.084, 0.078, 0.073, 0.068, 0.064, 0.064, 0.058, 0.053, 0.049, 0.043, 0.040 52 for i = 1 to 23 54 read V 56 put(V, 4, i) 58 next i 60 data 55.798, 54.413, 76.745, 95.130, 110.947, 125.564, 138.669, 149.054, 160.256, 171.567, 184.991, 199.951, 216.386, 235.395, 258.216, 286.180, 317.264, 324.641, 403.553, 522.315, 691.824, 1289.390, 1792.290 62 for i = 1 to 23 64 read P 66 put(P, 1, 4, i) 68 next i # 150 oC... 70 data 0.476, 0.490, 0.324, 0.246, 0.200, 0.168, 0.146, 0.132, 0.119, 0.109, 0.109, 0.099, 0.091, 0.084, 0.078, 0.073, 0.068, 0.064, 0.064, 0.058, 0.053, 0.049, 0.043 72 for i = 1 to 23 74 read V 76 put(V, 5, i) 78 next i 80 data 66.370, 64.628, 93.426, 111.587, 141.534, 164.001, 185.206, 202.746, 222.250, 242.450, 242.478, 266.859, 294.204, 324.034, 357.992, 397.723, 444.846, 495.431, 507.212, 628.422, 799.215, 1030.05, 1782.41 82 for i = 1 to 23 84 read P 86 put(P, 1, 5, i) 88 next i END PRINT; -reset false USE solution 1 REACTION 1 CO2 1; 0 0.1 10*0.4 12*2 INCREMENTAL_REACTIONS true GAS_PHASE 1 -fixed_volume CO2(g) 20 USER_GRAPH -headings 25.oC #-plot_csv_file co2_VP.dat -connect_simulations false -axis_scale x_axis 0 0.5 #0.2 -axis_scale y_axis 0 500 #100 -axis_titles "molar volume / (L/mol)" "Gas pressure / atm" 30 plot_xy get(sim_no, step_no), get(1, sim_no, step_no), line_width = 0, symbol = Square , color = Red 40 plot_xy 1 / gas("CO2(g)"), gas_p, symbol = None, color = Red END USE solution 1; USE reaction 1; USE gas_phase 1 REACTION_TEMPERATURE 50 USER_GRAPH -headings 50.oC 30 plot_xy get(sim_no, step_no), get(1, sim_no, step_no), line_width = 0, symbol = Circle , color = Green 40 plot_xy 1 / gas("CO2(g)"), gas_p, symbol = None, color = Green END REACTION 1 CO2 1; 2*0 0.1 10*0.4 10*2 USE solution 1; USE gas_phase 1 REACTION_TEMPERATURE 100 USER_GRAPH -headings 100.oC 30 plot_xy get(sim_no, step_no), get(1, sim_no, step_no), line_width = 0, symbol = Diamond , color = Blue 40 plot_xy 1 / gas("CO2(g)"), gas_p, symbol = None, color = Blue END SOLUTION 1 -temp 150 USE reaction 1; USE solution 1; USE gas_phase 1 REACTION_TEMPERATURE 150 USER_GRAPH -headings 150.oC 30 plot_xy get(sim_no, step_no), get(1, sim_no, step_no), line_width = 0, symbol = Plus , color = Orange 40 plot_xy 1 / gas("CO2(g)"), gas_p, symbol = None, color = Orange END