Spreadsheet files and screencasts demonstrating their useNonlinear RegressionNonlinear Regression to Determine Michaelis-Menten Kinetics Parameters Using Excel Solver - Determine
parameters Vmax and Km for Michaelis-Menten enzyme kinetics using
Excel Solver. (Spreadsheet: NLR for Enzyme Kinetics Using Solver)
Nonlinear Regression to Determine Confidence Limits for Michaelis-Menten Kinetics Parameters Using Excel - Determine
R
^{2} value and confidence limits for
parameters for Michaelis-Menten enzyme kinetics using Excel Solver. (Spreadsheet: NLR for Enzyme Kinetics Using Solver)Determine Activation Energy Using Nonlinear Regression with Excel Solver - Demonstrates
how to carry out nonlinear regression with Excel to determine the activation
energy and preexponential factor for a chemical reaction. Rate constants as a
function of temperature are used for a second-order reaction. (Spreadsheet: Activation Energy Calculation Using Solver)
Calculate 95% Confidence Intervals for Nonlinear Regression in Excel, Part 1 - Explains
how to determine 95% confidence intervals with Excel for parameters determined
by nonlinear regression using Excel Solver. Example
uses rate constants as a function of temperature for a chemical reaction. (Spreadsheet: Activation Energy Calculation Using Solver)
Calculate 95% Confidence Intervals for Nonlinear Regression in Excel, Part 2 - Demonstrates
using an Excel spreadsheet to determine 95% confidence intervals with Excel for
parameters determined by nonlinear regression using Excel Solver. Example
uses rate constants as a function of temperature for a chemical reaction. (Spreadsheet: Activation Energy Calculation Using Solver)
Determine Kinetic Parameters for Data from Isothermal Plug Flow Reactor, Part 1: Overview - Determine
kinetic parameters using nonlinear regression on data obtained from a plug-flow
catalytic reactor. The reactant exit concentration was measured as a function
of inlet volumetric flow rate for a gas-phase reaction A --> B. (Spreadsheet: NLR to Fit 2 Parameters from PFR Data)
Determine Kinetic Parameters for Data from Isothermal Plug Flow Reactor, Part 2: Excel Calculations - Explains
how to use Excel to determine kinetic parameters using nonlinear regression on
data obtained from a plug-flow catalytic reactor. This includes solving the differential
equation for the mass balance, creating a data table, and carrying out
nonlinear regression. The reactant exit concentration was measured as a
function of inlet volumetric flow rate for a gas-phase reaction A --> B. (Spreadsheet: NLR to Fit 2 Parameters from PFR Data)
Determine Kinetic Parameters for Data from Isothermal Plug Flow Reactor, Part 3: Excel Spreadsheet - Demonstrates
using an Excel spreadsheet to determine kinetic parameters obtained using
nonlinear regression on data obtained from a plug-flow catalytic reactor. The reactant exit concentration was measured
as a function of inlet volumetric flow rate for a gas-phase reaction A --> B. (Spreadsheet: NLR to Fit 2 Parameters from PFR Data)
Determine Kinetic Parameters for Data from Isothermal Plug Flow Reactor, Part 4: Confidence Limits - Demonstrates
how to use an Excel spreadsheet to determine confidence limits for kinetic
parameters that were obtained using nonlinear regression on data obtained from
a plug-flow catalytic reactor. The
reactant exit concentration was measured as a function of inlet volumetric flow
rate for a gas-phase reaction A --> B. (Spreadsheet: NLR to Fit 2 Parameters from PFR Data)
Nonlinear Regression to Obtain Kinetic Parameters for Isothermal PFR: Multiple Reactor Conditions Changed - Demonstrates
how to determine kinetic parameters using nonlinear regression on data obtained
from a plug-flow catalytic reactor. For
a gas-phase reaction A --> B, the
feed molar flow rates of A and B, and the total pressure were changed, and the
exit molar flow rate of reactant A was measured. (Spreadsheet: NLR to Fit PFR Data - Change F _{A0} - F_{B0} -P)Analyze data from Virtual Catalytic Reactor Laboratory (VCRL) - Demonstrates how to use a spreadsheet to determine kinetic parameters using nonlinear regression on data obtained from a plug-flow catalytic reactor. For a gas-phase reaction A + B --> 2C, the feed molar flow rates of A and B, and the total pressure were changed, and the exit molar flow rate of reactants A and B were measured and fit to a Langmuir-Hinshelwood mechanism where surface reaction is the rate-determining step. (Spreadsheet: Analyze VCRL Data)Examples Using Temperature Dependent Heat CapacitiesCalculating Enthalpy and Entropy Using the NIST WebBook - Demonstrates how to use the NIST WebBook (https://webbook.nist.gov) to calculate enthalpy and entropy at a given temperature using temperature-dependent heat capacities. (Spreadsheet: NIST WebBook Example)
Calculate Adiabatic Flame Temperature - Calculates the adiabatic flame temperature when n-butane burns in 100% excess air at 1.0-bar pressure. Both air and n-butane gas are fed at 25°C. Heat capacity equations that are applicable over the temperature range of interest are used. (Spreadsheet: Adiabatic Flame Temperature Calculation)
Adiabatic Flame Temperature Spreadsheet - Demonstrates how to use an Excel spreadsheet to calculate the adiabatic flame temperature for methane oxidation in air. Dissociation reactions are ignored. (Spreadsheet: Adiabatic Flame Temperature Calculation)
Use Heat Capacity to Calculate Outlet Temperature - Calculates the outlet temperature from a heat exchanger, given the feed flow rate of a mixture and the rate that heat is added. Heat capacities that are a function of temperature were used in the calculation. (Spreadsheet: Heat Capacity Examples)
Calculate Heat Added Example - Uses temperature-dependent heat capacity to calculate the rate of heat addition to heat an ammonia flow stream from 375 to 750 K. (Spreadsheet: Heat Capacity Examples)
Calculate Heat of Reaction at an Elevated Temperature - The heat of reaction for hydrazine decomposition is calculated at 600 K using heats of formation and temperature-dependent heat capacities. (Spreadsheet: Heat of Reaction vs. Temperature)
Gibbs Free Energy and Chemical EquilibriumCalculate Gibbs Free Energy Change for a Reaction at Elevated Temperature - Demonstrates how to calculate the change in Gibbs free energy for a reaction at elevated temperature when the heat of reaction and heat capacities are functions of temperature. The same procedure is used for ΔG _{f,T}⁰ and ΔG_{rxn,T}⁰. (Spreadsheet: Gibbs Free Energy as a Function of Temperature)Gibbs Free Energy of Reaction Spreadsheet - Demonstrates how to use an Excel spreadsheet to calculate the Gibbs free energy as a function of temperature when heat capacities and heat of reaction are functions of temperature. (Spreadsheet: Gibbs Free Energy as a Function of Temperature) Gibbs Free Energy of a Chemical Reaction as a Function of Temperature - Plots the Gibbs free energy divided by RT (nG/RT) for the water-gas shift reaction (CO + H2O --> CO2 + H2) at 1-bar pressure as a function of fractional conversion at several temperatures. (Spreadsheet: Plot Gibbs Free Energy vs Reaction Extent) Chemical Equilibrium Using Gibbs Minimization: Example - Calculates the equilibrium composition at 750 K and 10 bar for the water-gas shift reaction for a feed of 2 mol/s CO and 2 mol/s H2O using both extent of reaction and Gibbs minimization. Uses a spreadsheet with temperature-dependent heat capacities and assume the heats of formation are a function of temperature. Uses Excel Solver to minimize Gibbs free energy. (Spreadsheet: WGS Chemical Equilibrium by Gibbs Minimization) Multi Reaction Chemical Equilibrium Using Gibbs Minimization Spreadsheet - Demonstrates
how to use the spreadsheet to solve for chemical equilibrium using Gibbs
minimization for two reactions. (Spreadsheet: Multiple Reactions Chemical Equilibrium by Gibbs Minimization) OtherSolving a Nonlinear Equation in Excel - An
Excel spreadsheet is used to determine the volume from a cubic equation of
state. Three approaches are presented: 1) using a pressure-volume plot, 2)
using sliders to vary the volume, 3) using Excel Solver. (Spreadsheet: Solve a Nonlinear Equation in Excel)
Solve a Set of Nonlinear Equations Using Solver - Demonstrates
how to use Excel Solver to solve three nonlinear equations simultaneously. (Spreadsheet: Solve Multiple Nonlinear Equations Using Solver)
Calculate Molecular Weight from Osmotic Pressure for Nonideal Solution - Uses
osmotic pressure measured at a range of solute concentrations to determine the
molecular weight of the solute and the second osmotic virial coefficient. (Spreadsheet: Nonideal Osmotic Pressure) |