The use of computer simulations in General Chemistry
May 12 - June 6, 2000
Abstracts
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Developing and Implementing Web-based Computer Simulations for In-Class, Individual, and Small Group Work
by Donald E. Mencer, The Pennsylvania State University - Hazleton Campus, Hazleton, PA 18201
Should introductory chemistry be "taught" by a mode of instruction other than lecture? How can the web alter the way chemistry is learned? These questions are on the mind of many chemical educators. The answers to these questions will undoubtedly be influenced by the needs of each institution, individual instructors, and (most importantly) students. The web provides a "universally accessible" platform for the delivery of educational resources. The medium is relatively easy to develop materials for and provides a level of interaction that cannot be provided in a textbook. This interactive nature can be used to deliver simulations of chemical and physical processes (animations of phenomena) or interactive simulations of experiments that may (or may not) be done in the laboratory portions of a general chemistry course.
This paper will discuss a variety of the interactive materials that have been tested in the first semester of the author's general chemistry course. Presently the simulations involve material from approximately three quarters of the course. The topics addressed through the use of interactive simulations include density, mass laws, combustion analysis, stoichiometry, gas laws, calorimetry, the first law of thermodynamics, and some aspects of bonding. Additional guided discovery activities (without on-line simulations) are also used and include periodic properties, the atomic mass scale and the mole, atomic structure, and aspects of the "intermolecular" forces involved in condensed states of matter.
The use of interactive web based activities as the starting point for small group classroom discussion and assignments will also be discussed. It is important to make the use of simulations an integral part of the course, provide a motivation for individual students to perform the simulations, and to provide a setting in which the students can exchange ideas and insights. The author's attempts (both successful and not so successful) to implement these course materials in small groups will be described.
The positive aspects of, and technical requirements for, the learning tools discussed in the paper will be highlighted. However, the web cannot solve all of the challenges of teaching chemistry. Therefore, brief discussion of the difficulties (technological and pedagogical) encountered in creating and using web based simulations will also be discussed.
A-2
Using Technology to Solve the Conceptual Riddle: "How can we help them see what we see."
Jimmy Reeves, University of North Carolina at Wilmington and Gabriela Weaver, University of Colorado at Denver.
The revolution in technology that is sweeping our educational world promises to revolutionize our ability to show our students the mental images that exist in our minds as we teach chemistry. Videos and live demonstrations provide substance to our verbal descriptions of chemical processes such as precipitation and combustion, and animations let our students visualize our microscopic models of why these processes proceed as they do. Technology also provides the tools to create interactive activities (simulations) illustrating the fundamental concepts that underlie the myriad of algorithmic exercises our students encounter in the course of learning chemistry. For these resources to be effective, their development must be informed by research, and guided by experience and an understanding of technology's possibilities and limitations.
In this paper, we will review some of the research findings pertinent to using technology to teach chemistry, and provide examples of videos, animations and simulations developed with these findings in mind. We will also address the question of how high quality teaching materials can be widely disseminated and easily incorporated into existing general chemistry courses, and provide some models for how technology can be integrated into the teaching rubric.
A-3
Why use animations and simulations?
by Brian Pankuch, Union County College, New Jersey.
What can you do with new multimedia tools, such as Microsoft PowerPoint and Macromedia Director, that you aren't doing in your lectures already? What enhancements to learning can you make with these new presentation methods? Animations and simulations come to mind. Animations and simulations have the potential of being more efficient and effective ways of getting students to form useful mental models, by combining several topics in a unifying package.
Perhaps by combining topics together that are usually covered separately into an animation, time is spent more effectively on the combined topics. They are more intimately related to each other. Relationships are easier to see. It is generally recognized that the more senses that are engaged and the more interactive the learning, the better the material is understood and retained.
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Transferred to paper C-3 below.
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COMPUTER ANIMATIONS AND SIMULATIONS IN GENERAL CHEMISTRY
By Chung Chieh and Newman K.S. Sze, Department of Chemistry, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1, E-mail: cchieh@uwaterloo.ca
Computer simulations and animations are usually excellent tools for education. Animations show step-wise sequences of diagrams, numbers, or images to illustrate complicated concepts or theories. Simulations, on the other hand, are imitations of systems for users. The user enters or alters certain parameters, and the computer will reveal the consequences or changes. Some random or uncertain elements are involved in simulations. Experiments using real systems are the best ways to explore science, and simulations offer students alternative ways to discover when real systems are not available or impossible to setup.
A system may be set up according to some theories. For example, van der Waals equation can be used for real gases to illustrate how real gases differ from the ideal gas. These equations are implemented in a Java applet to simulate a system for a user to explore the difference. From this simulation, a user is asked to find out conditions in which the ideal gas law gives results within a set error limit.
Using graphical representation, we illustrate how Van der Waals equation deviates from real gases, especially in conditions when another phase is present. Gases such as H2, N2, H2O, CO2, are being considered currently in our Java applet to be used in the paper.
Differential equations are excellent for defining a system. Instead of solving these differential equations for explicit form, numerical methods may be applied. Implementation of numerical method is very easy using computers, and we will share our experience in using numerical methods for simulations.
Monte Carlo Simulation is another popular method used to explore systems envolving large ranges of parameters. Instead of covering the entire range, results of some random points are calculated, and the results extended to the entire range. Some examples of Monte Carlo simulations will be presented.
Some years ago, one of us taught a course Application of Computers in Chemical Problem Solving. Programs have been written to illustrate animations and simulations, and we will outline some of these projects.
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Discovery-based General Chemistry Using Chemland Simulations
by Bill Vining, Department of Chemistry, University of Massachusetts, Amherst, MA 01003-4510
This paper describes our use of computer-based simulations for use in general chemistry courses. We detail a discovery-based method of teaching, using a set of 64 simulations called Chemland. In the course, students are led to discover concepts through guided inquiry use of the simulation modules. Three methods of using the software are described, as is the development process we have employed. We describe our evaluation studies of the effects of our methodology and the use of a scientific reasoning instrument.
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Using Simulations to Transform the Nature of Chemistry Homework
David Yaron, Rea Freeland, Donovan Lange and Jeff Milton, Department of Chemistry, Carnegie Mellon University, Pittsburgh PA 15213
The goal of our work is to produce chemical education software that will be used in a wide range of introductory chemistry courses, and significantly enhance learning by effective use of simulations. Similar to other simulation-based approaches, our software promotes visualization of chemical processes, with our emphasis being on encouraging students to see the connections between abstract paper-and-pencil activities and actual chemical and real-world phenomena.
We will begin by presenting the rationale for our general design approach of coupling current paper-and-pencil homework activities with computer activities. We will then present several specific software applications, discussing the design philosophy of each and inviting input and comments. The software to be discussed is located on http://ir.chem.cmu.edu/ and includes:
- "Why Things Have Color?": a tool designed to help students understand complex material that requires assimilation of many sub-concepts.
- "Stoichiometry" : a tool designed to help students see beyond recipes and get a better understanding of limiting reagent and chemical equilibrium problems.
- "Acclimitizing on Mt. Everest": an on-line homework assignment that puts a chemical equilibrium problem in a real-world context.
- "Virtual lab": a flexible simulation of aqueous chemistry meant as a general tool for use in online homework, and as an enabling technology for further software development.
We will present the use of the lab to transform current paper-and-pencil problems with the format "Chemical solution A was mixed with B, what happened?" to the potentially better format "You want to achieve goal X, here are your starting materials".
Next, we will open a general discussion of the requirements which must be met for simulation-based software to be of wide use in a variety of common course structures. Our initial list is that the software must:
- add depth of understanding to core concepts already present in the courses. (This is our rationale for software that puts core skills in real world contexts.)
- be designed to fit smoothly into the existing course structure. (This is our rationale for focusing on enhancing homework assignments and providing automatic grading.)
- be easily modified to fit the environment and goals of existing courses.
(This is our rational for developing a flexible and customizable virtual lab environment.)
We will close by presenting a proposal for an open software system that allows instructors to easily create curriculum materials that utilize simulations developed elsewhere.
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Computer Simulations and Tutorials for General Chemistry at University of Missouri-Rolla
Gary L. Bertrand, Professor of Chemistry, University of Missouri-Rolla, Rolla, MO 65049-0010
Computer Simulations have been used in Chemistry courses at UMR since the early 80's. These began with an interactive simulation of the Iodine Clock reaction, which was used as a demonstration in a lecture room with 30 students grouped around the 13" monitor of an Apple IIe computer. While the students at that time were somewhat distracted by the technology, the educational impact was obvious. My assessment of that impact assigned equal weight to the effects of visualization and interactivity, and these have been the cornerstones of my software development and use.
Simulations and interactive software have been developed for Appraisal of Individual Students/Review and Remediation, Interactive Lecture Aids/Simulated Demonstrations, and as Simulations for the Laboratory. Materials have been delivered as recorded media, LAN servers, the Internet, and in a Computer Classroom used in conjunction with the Laboratory. Cross-platform issues have been, and still are a major concern. One overriding observation has been that the availability of electronic materials for out-of-class use tends to broaden the performance gap between the top and the bottom of the class. In-class use tends to narrow that gap. Some of these materials will be made available through an FTP site.
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INTERACTIVE SIMULATIONS FOR CLASSROOM USE
By John S. Martin, The University of Alberta
I have written these "Smart Instructor's Resources" (SIRs), interactive illustrations, simulations and animations of chemical principles and processes, designed for classroom use by means of a projection monitor. They are completely under the control of the instructor by means of an intuitive, mouse-driven interface. They impose no particular pedagogy, and may be brought into one's classroom presentation spontaneously whenever the occasion arises. They are particularly well adapted to interactive instruction, where you may ask students "What do you think would happen if..." (or they may ask you).
In addition to a conventional table of contents, these SIRs have an "analytic index", a pageful of words and phrases having to do with introductory chemistry. Click on one and a dialogue box appears with short descriptions of the relevant SIRs; click on the appropriate button and you go directly to that SIR.
The presentation will describe several typical SIRs, show examples of possible ways that they may be used in class, and report classroom experience. Twenty-one of a projected twenty-four SIRs are finished. These are being revised and improved as I get feedback from users; it is hoped that this presentation will advance that process.
These SIRs are Windows versions of the Simulations and Interactive Resources published in the Journal of Chemical Education: Software, 1996, Vol. 9B, No. 2 and now available on their General Chemistry CD-ROM. Most are significantly improved. They use the standard Windows 800 by 600 display, and will run on all versions of Windows so far tested: 3.1, 95,
98 and NT.