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### Kinetics and the Virtual Molecular Dynamics Lab

Kinetics Made Easy

Susan Grillo

Jay Chandler

Dan Burton

Introduction

- This is a traditional kinetic unit which incorporates Simulabs as a supplement.
- Incorporation of SimuLab will aid the visual interpretation of the kinetics of a reaction.

Intended Audience

- Advanced Placement or Chem II Students.
- The topics of kinetics and rate laws are incorporated in the SAT II to a very slight degree, and to a larger degree on the AP Chem Exam.
- The Simulabs are intended to enhance the students understanding of kinetics.

Placement in the Curriculum

- The unit will enhance the curriculum already in place.
- The major revision is the use of the appropriate SimuLabs to enhance the understanding of 1st and 2nd order reactions and activation energy.
- Students need an understanding of reactions rates prior to starting this unit.

Honors 1 Chemistry

No Zero Order or fractional reaction rates.

Substitute the Methyl Violet Lab with the Vitamin C Clock Lab.

Chemistry

No Graphing.

Only use Vitamin C Clock Lab.

Only show the relationship between initial conc., temp., and rate.

Adjustments / AdaptationGoals and Objectives

- Students will define the key terms involved in chemical kinetics and factors affecting rate.
- Students will use lab data and construct graphs to determine reaction order and the rate law.
- Students will apply the Arrhenius Equation to calculate activation energy and constants.
- Students will be able to develop a procedure to determine the rate law of a reaction.
- Given experimental data, students will be able to derive a rate law and select an appropriate mechanism for a reaction.

Pre-Lab, Lab and Post-Lab

Instructional

Time- Two days
- are needed for a wet lab .
- Two days are required
- for Simulabs 2.1; 2.2; 2.3.
- One day is required for
- Poster/PowerPoint
- presentation.

- Five days are required for instruction related to zero, first, and second order reactions and to discuss the differential and integrated rate laws, half-life and slope equation.

Resources

Crystal violet lab:

- Crystal violet (2.0 x 10 –5 M)
- NaOH (0.10M)
- Set-up time is approximately 1 hour.

Demonstrations

- Surface area demonstration.
- Elephant’s toothpaste catalysis demonstration:

30% H2O2 ( 125 mL)

KI

Dishwashing liquid

Food coloring

Electronic Equipment

- CBL/ Spec 20

Notes: If CBL’s used then only one is needed for graphing.

Simulab requires one computer

for every two to three students.

- CBL Probes for colorimetry.

Instructional Activities Chronology

Day One:

- Introduction to reaction rates
- Demonstrations

Days Two - Four:

- Average rate versus instantaneous rate:

Method of initial rate

Types of rate laws

Use of integrated rates

Use of zero order, 1st and 2nd order rates

Graphing of integrated rate laws

Half-life

Instructional ActivitiesChronology Continued

Day five:

- Mechanisms/ rate-determining step/ intermediates
- Collision model
- Catalysis

Days six – nine:

- Laboratories:
- Crystal violet
- SimuLab # 2.1, 2.2; 2.3 (From the Yellow book)

Day ten- eleven:

- Poster/PowerPoint preparation & presentation

2.1 Simulab

- Students will complete the lab and graph:
- [red] vs time
- 1/[red] vs time
- Ln [Red] versus time to determine k, half-life,
- and order of reaction

Simulab 2.2:

Students will complete Simulab 2.2 and will graph:

- Students will complete the lab and graph:
- [red] vs time
- 1/[red] vs time
- Ln [red] versus time

to determine k, half-life, and order of reaction.

Simulab 2.3:

Students will:

- run Simulab 2.3 three

times at different temperatures.

- calculate k for each temperature.
- use the Arrhenius equation to calculate the activation energy.

Assessment

- Students must produce a traditional

lab report in response to the wet lab.

- Students will submit problem sets to

be graded.

- A traditional end of unit, criterion-

based test will be administered.

Assessment Continued

- Students will produce a PowerPoint

/Posterboard summary of their Simulab work and answer the following questions:

- How is the rate constant determined graphically?
- How is the rate order determined graphically?
- How does the initial concentration affect the half-life?
- How does the change in temperature affect the rate constant?
- Using collision theory, explain the difference

between first and second order reactions.

Rate Law Summary

By integrating Simulabs with wet labs:

- Students will be exposed to visual

representations of the rate laws of

various order.

- Students will make connections

between the dynamic molecular models

and the graphs and equations which define

the various rate laws.

Rate Law Summary Continued

- Students will explore the relationships

between temperature, reaction rates,

and constants as well as initial

concentration and half-life.

- Students will be able to calculate the

activation energy from their data.

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