# EQUATRAN on the web - Try Our Examples

## Ex1a: Determination of NRTL Parameters

### problem description

Determine NRTL parameters for the isobaric data of ethanol-water system.

### solving principles

Optimize NRTL parameters (T12, T21) in the following equations by minimizing the error.

The error is defined as relative errors of activity coefficients.

### results

### tips to tailor to your problems

If you want to change the components, do the following:

[ Change Antoine's parameters ]

[ Change number of data points ]

[ Change VLE data set ]

ethanol liquid mol fraction, ethanol vapor mol fraction, temperature, total pressure:

## Ex1b: Calculation of VLE using NRTL parameters

### problem description

Calculation of VLE to compare with measured data using NRTL parameters determined in the previous example problem.

### results

## Ex2: Determination of Reaction Kinetic Constants

### problem description

Determine reaction kinetic constants, k1 and k2 for the reaction data below.

### solving principles

Assume k1 and k2 to calculate trend of concentrations of A, B and C and calculate errors with measured data. Optimize k1 and k2 by Marquardt method, non-linear dynamic optimization.

### results

### tips to tailor to your problems

If you want to change the reaction equations, which are three-component first order series reactions, modification of the codes is not transparent, contact PreFEED for assistance.

Please include your affiliates (company, telephone, and name) in the email.

## Other examples of coding the equations

The following sample problems will help you understand how EQUATRAN-G works.

Lesson 1 : Antoine Equation

Lesson 2 : Heat Balance of Heat Exchanger

Lesson 3 : Boiling Point Calculation

Lesson 4 : Reaction Calculation

Lesson 5 : Simple Distillation