From 4ab6f9f7a3a512e7a2af941a786dc49b0f1f2264 Mon Sep 17 00:00:00 2001 From: kanzakiy Date: Mon, 11 Mar 2024 10:55:19 -0400 Subject: [PATCH] updated readme --- readme.txt | 40 +++++++++++++++++++++++++++++++--------- 1 file changed, 31 insertions(+), 9 deletions(-) diff --git a/readme.txt b/readme.txt index 503bed0..41bf90c 100644 --- a/readme.txt +++ b/readme.txt @@ -1,7 +1,7 @@ scepter scepter.f90 - source code -makefile - compile (data dir in L50 needs to be specified) +makefile - compile (data dir in L52 needs to be specified) scripts: @@ -22,6 +22,14 @@ basalt_buff_tunespin_bisec_v2.py spinup.py - run a spin-up run spinup_inert.py - run series of run with bulk speces varying CECs spinup_inrt2.py - run series of run with bulk and OM speces varying CECs etc. +test_phreeqc_ex11.py - run series of run with an exchanger bulk species + initially equilibrated with porewater of 1 mM Na and 0.2 mM K and 1.2 mM NO3 + and replaced by porewater with a different composition with 1.2 mM CaCl2 + through advection and dispersion characterized with the Peclet number 40 + as in Appelo (1994) +test_phreeqc_ex11_init.py + - run series of run with an exchanger bulk species + with 1 mM Na and 0.2 mM K and 1-15 mM NO3 @@ -36,18 +44,32 @@ $$ running example simulations in GMD paper $$ undo comments-out in L849-852 of get_soilpH_time.py b. type: python3 get_soilpH_time.py -2. mesocosm experiment in Section 3 -2.1. field simulation +2. cation exchange experiment in Section 3 +2.1. cation exchange equilibrium simulation + a. modify outdir in L176 of test_phreeqc_ex11_init.py + b. type: python3 test_phreeqc_ex11_init.py +2.2. cation exchange + advection + dispersion simulation + 2.2.1. spin-up + a. modify outdir in L176 of test_phreeqc_ex11.py + b. type: python3 test_phreeqc_ex11.py + 2.1.2. dynamic simulation + a. undo comment-out in L16,17 of makefile + b. type: make + c. undo comment-out in L277-280 of test_phreeqc_ex11.py + d. type: python3 test_phreeqc_ex11.py + +3. mesocosm experiment in Section 3 +3.1. field simulation a. modify outdir in L159 of spinup_inrt2.py b. type: python3 spinup_inrt2.py -2.2. laboratory simulation +3.2. laboratory simulation a. modify outdir in L528, L888 of get_soilpH_time.py b. type: python3 get_soilpH_time.py -3. alkalinity requiremnt for ERW in Section 4 -3.1. field + laboratory simulation -3.1.1. spin/tune-up +4. alkalinity requiremnt for ERW in Section 4 +4.1. field + laboratory simulation +4.1.1. spin/tune-up a. modify outdir in L148 of tunespin_3_newton_inert_buff_v2_clean.py b. type: python3 tunespin_3_newton_inert_buff_v2_clean.py spinup_run_name 21.103289732688683 6.058006742238197 20.980309042371502 2.0516666666666667 @@ -56,13 +78,13 @@ $$ running example simulations in GMD paper $$ [ note that the runtime inputs are to specify: run ID, CEC (cmol/kg), target soil pH, target exchange acidity (%CEC), target soil OM (wt%), temperature (oC), moisture, runoff (m/yr), erosion rate (m/yr), nitrification rate (gN/m2/yr) ] -3.1.2. basalt application +4.1.2. basalt application a. modify outdir in L93 of basalt_buff_tunespin_bisec_v2.py and option of using soil/porewater pH (phnorm_pw=False/True, L25-26) b. type: python3 basalt_buff_tunespin_bisec_v2.py 6.2 1 21.103289732688683 basalt_run_name spinup_run_name [ note that the runtime inputs are to specify: target pH, duration of run, CEC (cmol/kg), basalt run name, spin/tune-up run name ] -3.2. calculating soil pH prodiles +4.2. calculating soil pH prodiles a. modify outdir in L49, L299 of get_soilpH_time_dep.py b. type: get_soilpH_time_dep.py basalt_run_name \ No newline at end of file