Merge pull request #82 from andr1976/controlvalve-characteristics

mdot bug fix and fixing graphs in webapp

.gitignore

@@ -45,3 +45,7 @@ src/hyddown/__pycache__/hdclass.cpython-38.pyc
 .gitignore
 src/hyddown/__pycache__/test_all.cpython-38-pytest-6.2.3.pyc
 src/hyddown/__pycache__/hdclass.cpython-38.pyc
+src/HydDown.egg-info/PKG-INFO
+src/hyddown/__pycache__/validator.cpython-38.pyc
+src/hyddown/__pycache__/transport.cpython-38.pyc
+src/hyddown/__pycache__/hdclass.cpython-38.pyc

scripts/streamlit_app.py

@@ -6,12 +6,14 @@
 import pandas as pd
 from PIL import Image
 import base64
+import matplotlib.pyplot as plt
 
 try:
     from hyddown import HydDown
 except:
     import sys
     import os
+
     hyddown_path = os.path.join(os.path.abspath(os.path.dirname(__file__)), "..", "src")
     sys.path.append(os.path.abspath(hyddown_path))
     from hyddown import HydDown
@@ -24,8 +26,10 @@ def get_table_download_link(df, filename):
     out: href string
     """
     csv = df.to_csv(index=False)
-    b64 = base64.b64encode(csv.encode()).decode()  # some strings <-> bytes conversions necessary here
-    filename = filename+'.csv'
+    b64 = base64.b64encode(
+        csv.encode()
+    ).decode()  # some strings <-> bytes conversions necessary here
+    filename = filename + ".csv"
     return f'<a href="data:application/octet-stream;base64,{b64}" download={filename}>Download csv file</a>'
 
 
@@ -34,127 +38,199 @@ def read_input():
 
     with sideb:
         try:
-            image_path = os.path.join(os.path.abspath(os.path.dirname(__file__)), "..", "docs", "img", "Sketch.png")
+            image_path = os.path.join(
+                os.path.abspath(os.path.dirname(__file__)),
+                "..",
+                "docs",
+                "img",
+                "Sketch.png",
+            )
             icon = Image.open(image_path)
             st.image(icon, use_column_width=True, caption="HydDown")
         except:
             pass
 
-        with st.form(key='my_form'):
-            submit_button = st.form_submit_button(label='Run calculation')
+        with st.form(key="my_form"):
+            submit_button = st.form_submit_button(label="Run calculation")
             heattran = st.checkbox("Include heat transfer", value=True)
-            c1,c2 = st.columns(2)
+            c1, c2 = st.columns(2)
 
             with c2:
-                length = st.text_input('Vessel length (m):', 0.463)
-                diam = st.text_input('Vessel diam (m):', 0.254) 
-                thk = st.text_input('Vessel thichness (m):', 0.016)
-                orientation = st.selectbox('Vessel orientation', ('horizontal', 'vertical'))
-                orifice_diam = st.text_input('Orifice diam (mm):', 0.40) 
-                orifice_diam = float(orifice_diam)/1000
-                tstep = st.text_input('Time step (s):', 1.0) 
+                length = st.text_input("Vessel length (m):", 0.463)
+                diam = st.text_input("Vessel diam (m):", 0.254)
+                thk = st.text_input("Vessel thichness (m):", 0.016)
+                orientation = st.selectbox(
+                    "Vessel orientation", ("horizontal", "vertical")
+                )
+                orifice_diam = st.text_input("Orifice diam (mm):", 0.40)
+                orifice_diam = float(orifice_diam) / 1000
+                tstep = st.text_input("Time step (s):", 1.0)
 
             with c1:
-                pres = st.text_input('Initial pressure (bar):', 50.)
-                pres = float(pres)*1e5
+                pres = st.text_input("Initial pressure (bar):", 50.0)
+                pres = float(pres) * 1e5
 
-                back_pressure = st.text_input('Fill/back pres. (bar):', 240) 
-                back_pressure= float(back_pressure)*1e5
+                back_pressure = st.text_input("Fill/back pres. (bar):", 240)
+                back_pressure = float(back_pressure) * 1e5
 
                 #fluid = st.selectbox('Select fluid', ('H2', 'He', 'N2', 'air', 'CH4', 'O2'))
                 fluid = st.selectbox('Select fluid', ('H2', 'NG', 'He', 'N2', 'air', 'CH4','O2'))
                 if fluid == 'NG':
                     fluid = "Methane[0.89571]&Ethane[5.6739e-02]&Propane[2.30395e-02]&Butane[1.03E-02]&Pentane[2.67E-03]&CO2[0.84e-02]&N2[0.3080e-2]"
                 mode = st.selectbox('Select mode', ('filling', 'discharge'))
+                temp = st.text_input("Initial temp. (C):", 25)
+                temp = float(temp) + 273.15
+                end_time = st.text_input("End time (s):", 240)
 
-                temp = st.text_input('Initial temp. (C):', 25)
-                temp = float(temp)+273.15
-                end_time = st.text_input('End time (s):', 240) 
-
-            density = st.text_input('Vessel material density (kg/m3):', 7740) 
+            density = st.text_input("Vessel material density (kg/m3):", 7740)
             density = float(density)
 
-            cp = st.text_input('Vessel material heat capacity (J/kg K):', 470) 
+            cp = st.text_input("Vessel material heat capacity (J/kg K):", 470)
             cp = float(cp)
 
-
     input = {}
-    input['calculation'] = {}
-    input['vessel'] = {}
-    input['initial'] = {}
-    input['valve'] = {}
-    input['heat_transfer'] = {}
-
-    input['calculation']['type'] = 'energybalance'
-    input['calculation']['time_step'] = float(tstep)
-    input['calculation']['end_time'] = float(end_time)
-    
-    input['vessel']['length'] = float(length)
-    input['vessel']['diameter'] = float(diam)
-    input['vessel']['heat_capacity'] = cp
-    input['vessel']['density'] = density
-    input['vessel']['orientation'] = orientation
-    input['vessel']['thickness'] = float(thk)
-
-    input['initial']['pressure'] = pres
-    input['initial']['temperature'] = temp
-    input['initial']['fluid'] = fluid
-    input['valve']['flow'] = mode
-    input['valve']['type'] = 'orifice'
-    input['valve']['diameter'] = float(orifice_diam)
-    input['valve']['discharge_coef'] = 0.84
-    input['valve']['back_pressure'] = back_pressure
+    input["calculation"] = {}
+    input["vessel"] = {}
+    input["initial"] = {}
+    input["valve"] = {}
+    input["heat_transfer"] = {}
+
+    input["calculation"]["type"] = "energybalance"
+    input["calculation"]["time_step"] = float(tstep)
+    input["calculation"]["end_time"] = float(end_time)
+
+    input["vessel"]["length"] = float(length)
+    input["vessel"]["diameter"] = float(diam)
+    input["vessel"]["heat_capacity"] = cp
+    input["vessel"]["density"] = density
+    input["vessel"]["orientation"] = orientation
+    input["vessel"]["thickness"] = float(thk)
+
+    input["initial"]["pressure"] = pres
+    input["initial"]["temperature"] = temp
+    input["initial"]["fluid"] = fluid
+    input["valve"]["flow"] = mode
+    input["valve"]["type"] = "orifice"
+    input["valve"]["diameter"] = float(orifice_diam)
+    input["valve"]["discharge_coef"] = 0.84
+    input["valve"]["back_pressure"] = back_pressure
     # input['valve']['end_pressure']=end_pressure
 
-    input['heat_transfer']['type'] = 'specified_h'
-    input['heat_transfer']['temp_ambient'] = 298
-    input['heat_transfer']['h_outer'] = 5
+    input["heat_transfer"]["type"] = "specified_h"
+    input["heat_transfer"]["temp_ambient"] = 298
+    input["heat_transfer"]["h_outer"] = 5
     if heattran is True:
-        input['heat_transfer']['h_inner'] = 'calc'
+        input["heat_transfer"]["h_inner"] = "calc"
     else:
-        input['heat_transfer']['h_inner'] = 0.0
-    input['heat_transfer']['D_throat'] = float(diam)
+        input["heat_transfer"]["h_inner"] = 0.0
+    input["heat_transfer"]["D_throat"] = float(diam)
     return input
 
 
 if __name__ == "__main__":
-    st.set_page_config(layout='wide')
+    st.set_page_config(layout="wide")
 
     input = read_input()
     hdown = HydDown(input)
 
-    with st.spinner('Calculating, please wait....'):
-        hdown.run(disable_pbar=True) 
+    with st.spinner("Calculating, please wait...."):
+        hdown.run(disable_pbar=True)
 
-    st.title('HydDown rigorous demo')
-    st.subheader(r'https://github.com/andr1976/HydDown')
+    st.title("HydDown rigorous demo")
+    st.subheader(r"https://github.com/andr1976/HydDown")
     my_expander = st.expander("Description")
 
-    my_expander.write('Real gas vessel pressurisation/depressurisation with heat transfer from gas to vessel and ambient and vice versa. Orifice size (Cd = 0.84) is specified for desired pressurisation/depressurisation rate.')
-    my_expander.write('For more information about the calculations and validation of the code please refer to the [manual](https://github.com/andr1976/HydDown/raw/main/docs/MANUAL.pdf)')
+    my_expander.write(
+        "Real gas vessel pressurisation/depressurisation with heat transfer from gas to vessel and ambient and vice versa. Orifice size (Cd = 0.84) is specified for desired pressurisation/depressurisation rate."
+    )
+    my_expander.write(
+        "For more information about the calculations and validation of the code please refer to the [manual](https://github.com/andr1976/HydDown/raw/main/docs/MANUAL.pdf)"
+    )
 
     df = hdown.get_dataframe()
-    file_name = st.text_input('Filename for saving data:', 'saved_data') 
-    
+    file_name = st.text_input("Filename for saving data:", "saved_data")
+
     st.markdown(get_table_download_link(df, file_name), unsafe_allow_html=True)
 
     col1, col2 = st.columns(2)
 
-    if input['valve']['flow'] == 'discharge':
-        temp_data = pd.DataFrame({'Time (s)': hdown.time_array, 'Fluid temperature (C)': hdown.T_fluid-273.15, 'Wall temperature (C)': hdown.T_vessel-273.15, 'Vent temperature (C)': hdown.T_vent-273.15})
+    if input["valve"]["flow"] == "discharge":
+        temp_data = pd.DataFrame(
+            {
+                "Time (s)": hdown.time_array,
+                "Fluid temperature (C)": hdown.T_fluid - 273.15,
+                "Wall temperature (C)": hdown.T_vessel - 273.15,
+                "Vent temperature (C)": hdown.T_vent - 273.15,
+            }
+        )
     else:
-        temp_data = pd.DataFrame({'Time (s)': hdown.time_array, 'Fluid temperature (C)': hdown.T_fluid-273.15, 'Wall temperature (C)': hdown.T_vessel-273.15})
-
-    pres_data = pd.DataFrame({'Time (s)': hdown.time_array, 'Pressure (bar)': hdown.P/1e5})
-
-    col1.line_chart(pres_data.rename(columns={'Time (s)': 'index'}).set_index('index'))
-    col1.text('Time (s)')
-    col2.line_chart(temp_data.rename(columns={'Time (s)': 'index'}).set_index('index'))
-    col2.text('Time (s)')    
-
-    mdot_data = pd.DataFrame({'Time (s)': hdown.time_array, 'Mass rate (kg/s)': hdown.mass_rate})
-    mass_data = pd.DataFrame({'Time (s)': hdown.time_array, 'Fluid inventory (kg)': hdown.mass_fluid})
-    col1.line_chart(mdot_data.rename(columns={'Time (s)': 'index'}).set_index('index'))
-    col1.text('Time (s)')
-    col2.line_chart(mass_data.rename(columns={'Time (s)': 'index'}).set_index('index'))
-    col2.text('Time (s)')
+        temp_data = pd.DataFrame(
+            {
+                "Time (s)": hdown.time_array,
+                "Fluid temperature (C)": hdown.T_fluid - 273.15,
+                "Wall temperature (C)": hdown.T_vessel - 273.15,
+            }
+        )
+
+    pres_data = pd.DataFrame(
+        {"Time (s)": hdown.time_array, "Pressure (bar)": hdown.P / 1e5}
+    )
+
+    fig, ax = plt.subplots(figsize=(5, 2))
+
+    ax.plot(
+        pres_data["Time (s)"],
+        pres_data["Pressure (bar)"],
+        "k",
+    )
+    ax.set_xlabel("Time (s)")
+    ax.set_ylabel("Pressure (bar)")
+    col1.pyplot(fig)
+
+    fig, ax = plt.subplots(figsize=(5, 2))
+
+    ax.plot(
+        temp_data["Time (s)"], temp_data["Fluid temperature (C)"], "k", label="Fluid"
+    )
+    ax.plot(
+        temp_data["Time (s)"], temp_data["Wall temperature (C)"], "k--", label="Wall"
+    )
+    if input["valve"]["flow"] == "discharge":
+        ax.plot(
+            temp_data["Time (s)"],
+            temp_data["Vent temperature (C)"],
+            "k-.",
+            label="Vent",
+        )
+
+    ax.set_xlabel("Time (s)")
+    ax.set_ylabel("Temperature ($^\circ$C)")
+    ax.legend(loc="best")
+    col2.pyplot(fig)
+
+    mdot_data = pd.DataFrame(
+        {"Time (s)": hdown.time_array, "Mass rate (kg/s)": hdown.mass_rate}
+    )
+    mass_data = pd.DataFrame(
+        {"Time (s)": hdown.time_array, "Fluid inventory (kg)": hdown.mass_fluid}
+    )
+
+    fig, ax = plt.subplots(figsize=(5, 2))
+    ax.plot(
+        mdot_data["Time (s)"],
+        mdot_data["Mass rate (kg/s)"],
+        "k",
+    )
+    ax.set_xlabel("Time (s)")
+    ax.set_ylabel("Mass rate (kg/s)")
+    col1.pyplot(fig)
+
+    fig, ax = plt.subplots(figsize=(5, 2))
+    ax.plot(
+        mass_data["Time (s)"],
+        mass_data["Fluid inventory (kg)"],
+        "k",
+    )
+    ax.set_xlabel("Time (s)")
+    ax.set_ylabel("Fluid inventory (kg)")
+    col2.pyplot(fig)

src/HydDown.egg-info/PKG-INFO

@@ -5,15 +5,23 @@ Summary: Hydrogen (or other pure gas phase species) pressure vessel filling and
 Home-page: https://github.com/andr1976/HydDown/
 Author: Anders Andreasen
 Author-email: [email protected]
-License: UNKNOWN
 Project-URL: Bug Tracker, https://github.com/andr1976/HydDown/new/main/issues
-Platform: UNKNOWN
 Classifier: Programming Language :: Python :: 3
 Classifier: License :: OSI Approved :: MIT License
 Classifier: Operating System :: OS Independent
 Requires-Python: >=3.6
 Description-Content-Type: text/markdown
 License-File: LICENSE
+Requires-Dist: tqdm
+Requires-Dist: streamlit>=0.89
+Requires-Dist: pandas>=1.1.4
+Requires-Dist: matplotlib>=3.3.3
+Requires-Dist: numpy>=1.19.5
+Requires-Dist: pytest>=6.2.3
+Requires-Dist: Cerberus>=1.3.3
+Requires-Dist: CoolProp>=6.4.1
+Requires-Dist: PyYAML>=5.4.1
+Requires-Dist: scipy>=1.6.0
 
 [![DOI](https://zenodo.org/badge/353152239.svg)](https://zenodo.org/badge/latestdoi/353152239) ![license](https://img.shields.io/github/license/andr1976/HydDown) ![buil](https://github.com/andr1976/HydDown/actions/workflows/python-app.yml/badge.svg) [![codecov](https://codecov.io/gh/andr1976/HydDown/branch/main/graph/badge.svg)](https://codecov.io/gh/andr1976/HydDown) [![Streamlit App](https://static.streamlit.io/badges/streamlit_badge_black_white.svg)](https://share.streamlit.io/andr1976/hyddown/main/scripts/streamlit_app.py)
 [![CodeQL](https://github.com/andr1976/HydDown/actions/workflows/codeql-analysis.yml/badge.svg)](https://github.com/andr1976/HydDown/actions/workflows/codeql-analysis.yml)
@@ -108,5 +116,3 @@ If heat transfer is to be considered the calculation type "energybalance" is req
 - Specified h, the external heat transfer coefficient is provided and either the internal is provided or calculated from assumption of natural convection from a vertical cylinder at high Gr number. Ambient temperature is required.
 - Detailed 
 - Fire with heat load calculated from the Stefan-Boltzmann equation
-
-