# Model naphthalene column experiment of Bayard et al., 2000 SOLUTION_MASTER_SPECIES; Naph Naph 0 1 1 SOLUTION_SPECIES; Naph = Naph; -log_k 0 SURFACE_MASTER_SPECIES; Noc Noc; Xoc Xoc SURFACE_SPECIES; Noc = Noc; -log_k 0 Noc + Naph = NocNaph; -log_k -97.52 # -100 + log(302) Xoc = Xoc; -log_k 0 ; Xoc + Naph = XocNaph; -log_k -96.69 # -100 + log(2026) SOLUTION 1-100; SOLUTION 0; -units mg/L; Naph 9 END RATES Noc_naph # dq/dt = k * (K_d * c - q). k = 0.26/h. # K_d = f_imm * f_oc * Kd' * rho_b/eps -start; 1 k = 0.26/3600; 2 K_d = 0.33 * 0.014 * 302 * 1.05/0.58 10 Dif = K_d * tot("Naph") - m; 20 if abs(Dif) < 1e-3 then goto 100 30 moles = k * Dif * time; 100 save -moles; -end Xoc_naph # dq/dt = k * (K_d * c - q). k = 0.24/h. # K_d = f_imm * f_oc * Kd' * rho_b/eps -start; 1 k = 0.24/3600; 2 K_d = 0.9 * 0.00152 * 2026 * 1.05/0.58 10 Dif = K_d * tot("Naph") - m; 20 if abs(Dif) < 1e-3 then goto 100 30 moles = k * Dif * time; 100 save -moles; -end KINETICS 1-5 Noc_naph; -formula Naph 1; m 0 # for coaltar amended soil... # Xoc_naph; -formula Naph 1; m 0 SURFACE 1-5; -equil 1 Noc 1.69e98 1 1 # f_m * f_oc * rho_b/eps * 10^100 = # 0.67 * 0.014 * 1.05/0.58 * 1e100 # for coaltar amended soil... # Xoc 2.74e96 1 1# 0.1 * 0.00152 * 1.05/0.58 END PRINT; -reset false; -status false; -warnings 1 TRANSPORT; -cells 5; -length 1.4e-2; disp 7e-3; -timest 216 -shifts 430 1; -punch_fr 5; -punch 5 # ...for Nom # for coaltar amended soil... # -shifts 550 1; -punch_fr 5; -punch 5 # ...for Nom + Xom USER_GRAPH; -head PV Naph; -plot time; -axis_titles "Pore Volumes" C/C0 -axis_scale x_axis 0 200 50 25 -start; 10 graph_x (total_time + 108) / 1080.0 20 graph_y tot("Naph") / 0.009; -end END COPY solution 100 0; END; TRANSPORT; END