_____University of Puget Sound Experiment 3 Department of Chemistry Chem 110 SPREADSHEETS AND DATA ACQUISITION PROGRAMS IN CHEMISTRY LABORATORY OBJECTIVES AND ASSESSMENTS 1. Develop spreadsheet and graphing skills. a. Demonstrate proper entry of formulas using scientific notation. b. Perform fill-down and fill-across operations. c. Generate and format cells of various formats (decimal, scientific notation, etc.). d. Produce properly annotated and formatted x-y scatter plots. 2. Develop computer-based collection and analysis skills. a. Collect paired experimental results (e.g., pressure and volume). b. Identify graphical depictions of linear, variable power, or inverse functions, and perform appropriate regression analyses. c. Extract algebraic parameters (e.g., slope) from regression analysis. 3. Develop formal writing skills. a. Export properly formatted tables and figures into a word processing program. b. Use appropriately voiced and tensed prose, in combination with tables and figures, to make a Results Section. INTRODUCTION USING SPREADSHEETS FOR PREPARING TABLES AND FIGURES One major objective of this exercise is to use spreadsheets for preparing tables and figures for your laboratory reports. Another objective is to collect and plot experiment results using a data collection interface. You will write two separate “Results” sections of a formal report from the data you collected in Exercise 1 and Exercise 2 from this experiment. This formal report writing exercise is due next week upon arrival at the lab. The formatting of the data tables you constructed in your lab notebook to collect data in the lab does not always reflect the correct formatting for presenting the data for a formal presentation. Once the data and/or plot are copied into the Word™ document the table can also be formatted using the Tables menu in Word™ and title and captions can be added to the tables and figures. DIFFERENCES BETWEEN SPREADSHEETS AND LAB DATA ACQUISITION PROGRAMS Spreadsheet and plotting programs on personal computers were originally developed for business use and, along with word processing programs, are responsible for much of the tremendous growth of computer use in our society. Modern spreadsheet programs contain most of the mathematical functions needed by scientists. A spreadsheet represents an extremely fast and efficient method for inputting data for both numerical calculations and graphical presentations of the results. Some goals of this lab are to introduce you to some of the most commonly used spreadsheet skills: entering data, doing simple calculations, plotting data, formatting results for formal lab reports, and saving data onto the desktop. Other goals of the experiment involve data collection and processing using laboratory interfaces, data acquisition programs and associated applications. Spreadsheets in Chemistry 1 Some of the worksheets and charts developed in this write-up have been produced with Microsoft Excel®, but any spreadsheet software can be used in conjunction with these instructions with some modifications specific to each program. A data collecting and plotting program used in laboratory procedures, LoggerPro, will also be used to produce plots directly from data collected in the laboratory. This application in conjunction with the appropriate interfaces will be used throughout the semester. The primary difference between a spreadsheet and a lab data-collecting program is the input of data. A spreadsheet is designed for any kind of data, that is, text, numerical, date or logical, as defined and input by a user. In contrast, a lab data collection program is designed to receive analog electrical signals, either amperage or voltage, directly from a detector. These data are converted to digital format and stored directly into a memory array, often in a secure form that preserves the integrity of the data and does not allow alteration by a user. As most modern labs use instrumentation for separation, analysis or characterization of chemical species, these programs are designed specifically for the type of data monitored as well as the operation of the instrument, and also for the enormous quantity of data generated. For example, a microsecond of FT-NMR data may generate several megabytes of raw numbers, far too much for most spreadsheets. However, these raw data can then be reduced to fairly concise results which can be summarized and tabulated for publication using a spreadsheet and a word processor. PROCEDURE WORK IN PAIRS EXERCISE 1 Temperature conversions from Celsius to Fahrenheit With a new worksheet on the monitor of your computer and Microsoft® Excel or a similar spreadsheet program operating, you should produce an exact copy of Figure 1, which is our first example. The spreadsheet will convert the temperatures input to the Celsius column into temperatures in Fahrenheit based on the relationship between the temperature scales: T(°F)= 1.8 x T(°C) + 32 (1) The spreadsheet on the left represents what you see in normal view and the one on the right shows the formulas. Most of the entries in this worksheet must be made by using the Fill Down command under Edit on the menu bar. The four cells that you need to fill from the keyboard are highlighted by bold type. The remaining cells are filled from the typed ones in This example illustrates the ease with which a formula in a cell may be filled by the Fill Down or Fill Right command under Edit. The set of operations illustrated by this example are representative of a process for copying and creating relative cell references, with the software intuitively changing the cell reference as you fill down or to the right. For a simple progression such as this one it is also possible to specify a series fill by step size to an end number. Spreadsheets in Chemistry 2 Figure 1. Examples of Worksheets 1 and 1ƒ. Converting Celsius to Fahrenheit from Excel. You can view the formula that you have placed in a given cell by observing the formula bar at the top of the worksheet. This requires that you highlight the cells one at a time by using either the mouse or the directional arrows. During the development of a worksheet, you may want to simultaneously observe the formulas in all of the cells. This can be accomplished by altering the view of the worksheet so that only the formulas and not the contents of the cells are shown. This view can be accessed via the keystroke; “command-` ” or via the Preferences (command-,) and checking the Formulas box under the View option. In many cases the contents in a cell will not be visible because the width of the cell is too narrow. The cell width can be increased (or decreased) by clicking the letter of the column, then double-clicking (control+ click) on the border. This sets the width to the widest entry in the column. The worksheet has done the calculations for you, but it is not in the format desired for a table to be pasted into a Word document and a Figure caption can be added. Clicking on the row number (or column letter) selects the entire row (column). Select row 1. From the top menu, select Insert>row. Now you can type a title for the table. To format a cell or block of cells, first select it and then click Format > cells. A dialog box appears with tabs for number, alignment, font, border, patterns and protection. You will usually only format the number, alignment and border. Alternatively, under View you can display the formatting toolbox. You should produce the table in a Word document exactly as it appears below: Table 1. Conversion of Celsius to Fahrenheit Celsius (°C) Fahrenheit (°F) 0 32 10 50 20 68 30 86 40 104 50 122 60 140 70 158 80 176 90 194 100 212 110 230 120 248 The format of this table is consistent with the instructions in the IV. Guidelines For Making Tables handed out in lecture, namely Spreadsheets in Chemistry 3 • Three and only three horizontal lines • Title, beginning with table number • Values centered under the heading with the units in the heading. If you need assistance in producing these results, be sure to ask your professor or CA. Graphical Presentations The presentation of this information in graphical format (a chart) may be quickly achieved by simple operations using Chart under Insert. The first step is to choose the type; you will ALWAYS use “XY(scatter)” with NO connecting lines. When you click “Next” a preview will appear. Click the series tab, and then use the icons to select the x data and the y data and name the figure as “Figure 2. The relation between Celsius and Fahrenheit.” Title the axes. Use the remaining tabs to remove gridlines and legend. When you select “Finish” the graph appears on the worksheet; immediately click the Plot area and set fill to “No Fill”, and click the chart area and select “No Fill” and borders to “None”. Finally, right click a data point and select “add Trendline”. You should reproduce figure 2 below exactly. Figure 2. Plot from Table 1. Conversion of Celsius to Fahrenheit illustrating the proper formatting (no title, background, legend or grid lines.) If you need assistance in producing these results, be sure to ask your professor or CA. The graph should now be complete with a caption for the chart, the “x” axis labeled and showing units, and the “y” axis labeled and showing units. Later, you may want to explore the various options for graphical presentations under Chart on the tool bar ribbon. Sketch this plot in your lab notebook. With the worksheet as the current window, enter in cell A2 the numeric value -50. You should observe that the chart now represents the new values that have been calculated by the worksheet for an initial value of -50° C. If you activate the worksheet by clicking on cell A2, you will be able to change this value in this cell at will and observe the corresponding changes in the graphical presentation. It is possible to reduce the horizontal size of the worksheet by moving the borders and thereby gaining space so that the chart may be increased in size in the horizontal direction. Sketch this plot in your lab notebook. NAMING AND SAVING FILES Record this file name in your lab notebook with a short description of what the file represents and the location (Flash Drive). A couple of statements and/or a sketch of the figure are suggested. Spreadsheets in Chemistry 4 To SAVE this data simply select the SAVE command from the FILE menu. After the dialog box appears click on the button designated DESKTOP. Give your spreadsheet file a name using the following format: Lastname_Exp#_E1.xls (Your last name underscore experiment number underscore exercise (or part) number dot xls) Note: Use this naming format for all files saved on Chemistry Lab Computers. Click the SAVE button. You can transfer your document to a flash drive after quitting from the program or email the files to your personal mailbox. E.1 From the Excel worksheet, copy the spreadsheet and the chart embedded on the same page with the chart below the spreadsheet. Paste these into a new page in Microsoft Word (or the word processor you use), save and preview a copy of your spreadsheet and the chart embedded on a single page. Show this preview to your CA and save a copy of both the Excel™ document as well as the Word™ document to your flash drive before moving on to the next exercise. This data will become the basis for a Results Section for Exercise 1. See the What–to-Do Section at end this handout. Read Laboratory Guideline Section VII. GUIDELINES FOR WRITING THE RESULTS AND DISCUSSION SECTIONS OF A REPORT. EXERCISE 2 Pressure-Volume Relationship in Gases The primary objectives of this exercise are to collect data showing the relationship between the pressure and volume of a confined gas and then analyze the data using graphs. The gas we use will be air, and it will be confined in a syringe connected to a Pressure Sensor (see Figure 3). When the volume of the syringe is changed by moving the piston, a change occurs in the pressure exerted by the confined gas. This pressure change will be monitored using a Pressure Sensor. It is assumed that temperature will be constant throughout the experiment. Pressure and volume data pairs will be collected during this experiment and then analyzed. From the data and graph, you should be able to determine what kind of mathematical relationship exists between the pressure and volume of the confined gas. Historically, this relationship was first established by Robert Boyle in 1662 and has since been known as Boyle's law. Figure 3. Syringe and pressure sensor set-up. The arrow indicates the front (or bottom) edge of the black ring on the syringe piston. PROCEDURE EXERCISE 2A DATA COLLECTION Spreadsheets in Chemistry 5 1. Prepare the Pressure Sensor and an air sample for data collection. a. Plug the Pressure Sensor into Channel 1 of the computer interface. b. With the 20-mL syringe disconnected from the Pressure Sensor, move the piston of the syringe until the front edge of the inside black ring (indicated by the arrow in Figure 3) is positioned at the 10.0 mL mark. c. Attach the 20-mL syringe to the valve of the Pressure Sensor. It has a white stem protruding from the end of the sensor box. Attach the syringe directly to the white stem with a gentle half-turn. 2. Prepare the computer for data collection by opening the experiment file in the launcher window on the desktop. On the Graph window the vertical axis has pressure scaled from 0 to 250 kPa, the horizontal axis has volume scaled from 0 to 20 mL. 3. Click the "Collect" button to begin data collection. 4. To collect the pressure vs. volume data, it is best for one person to take care of the gas syringe and for the other to operate the computer. a. Move the piston to position the front edge of the inside black ring (see Figure 3) at the 5.0 mL line on the syringe. Hold the piston firmly in this position until the pressure value stabilizes. b. When the pressure reading has stabilized, click the "Keep" button. Type "5.0" in the edit box. Press the ENTER or RETURN key to keep the data pair. Note: You can choose to redo a point by pressing the ESC key (after clicking "Keep", but before entering a value). c. Continue the procedure for volumes of 10.0, 15.0, and 20.0 mL. d. Click "Stop" when you have finished collecting data. 5. In your notebook setup a table for the data that was recorded by the computer. In the data table in your lab notebook, record the pressure and volume data. Add an additional column with the column label- 1/V. This data is collected in Exercise 2B below. 6. a) If the data points appear to fall on a straight line you can apply the “Linear regression” function to the data. The results will display the slope of the “best-fit” straight line and its correlation factor. (If the data is distributed perfectly on a straight line it will have a correlation factor of “1.0”.) You may need to sort your data before applying the function. b) To obtain a “best-fit” line that suits your data click on the Analyze menu and select “Linear fit.” c) If the straight line does not fit your data select the ”Curve Fit“ menu item. In the resulting dialog box click on the inverse function and select ”Try Fit“ and click ”OK.“ 7. Sketch this plot in your lab notebook. In your lab notebook record the file name with a short description of what the file represents and the location. A couple of statements and a sketch of the figure are necessary. E.2A After formatting the graph in the LoggerPro application, copy and paste it into a new Word document for Exercise 2. Write a caption beginning “Figure 1. Pressure vs. volume of air” and save a copy of both the LoggerPro™ document as well as the Word™ document to your flash drive before moving on to the next part of the exercise. This data will become the basis for a Results Section for Exercise 2. See the What–to-Do Section at end this handout. Read Laboratory Guideline Section VII. GUIDELINES FOR WRITING THE RESULTS AND DISCUSSION SECTIONS OF A REPORT. EXERCISE 2B 1. To explore a different type of relationship between pressure and volume, a graph of pressure versus the reciprocal of volume (1/volume or volume-1) may also be plotted. To do this Spreadsheets in Chemistry 6 using LoggerPro, it is necessary to create a new column of data, reciprocal of volume, based on your original volume data. a. Remove the Linear Fit box and line from the graph by clicking on the upper-right corner of the text box or reselect Linear Fit from the Analyze menu. b. Choose "New Column > Formula" from the Data menu. c. Enter "1/Volume" as the Long Name, "1/V" as the Short Name, and "1/mL" as the Unit. Then click on the Definition tab. d. Enter the correct formula for the column (1/volume) into the Equation edit box. To do this, type in "1" and "/". Then select "Volume" from the Variables list. In the Equation edit box, you should now see displayed: l/"Volume". Click "OK". e. Click on the vertical-axis label, select "Pressure" (only), and click "OK". Click on the horizontal-axis label, select "1/Volume" to be displayed on the horizontal axis, and click "OK". 2. If the relationship between P and V is direct, the data points in the graph from section A would lie on a straight line. On the other hand, if the relationship is inverse, the data points in the graph from section B would lie on a straight line. Examine your graphs to see which relationship better describes your data (minor, random deviations from a straight line are OK). 3. For this plot try a linear fit. Under the Analyze menu select “Linear Fit. 4. Record the data in your notebook table. 5. Sketch this plot in your lab notebook. To SAVE this data simply select the SAVE command from the FILE menu. After the dialog box appears click on the button designated DESKTOP. Give your data file a name using the following format: Lastname_Exp#_E2.cmbl (Your last name underscore experiment number underscore exercise (or section) number dot cmbl) Note: Use this naming format for all files saved on Chemistry Lab Computers. Click the SAVE button. You can transfer your document to a flash drive after quitting from the program or email the files to your personal mailbox. Always save your data in more than one location. In your lab notebook record the file name with a short description of what the file represents and the location. A couple of statements and a sketch of the figure are necessary. E.2B After formatting the graph in the LoggerPro application, copy and paste it into the open Word document. Write a caption beginning “Figure 2. Pressure vs. inverse volume of air”. Show these two plots to your CA and save a copy of both the LoggerPro™ document as well as the Word™ document to your flash drive with the data from Part A. This data will become the basis for a Results Section for Exercise 1. See the What–to-Do Section at end this handout. Read Laboratory Guideline Section VII. GUIDELINES FOR WRITING THE RESULTS AND DISCUSSION SECTIONS OF A REPORT. QUESTIONS (THESE MUST BE COMPLETED IN LAB) Exercise 1 Spreadsheets in Chemistry 7 Q.1. What temperature is numerically the same on both the Celsius and Fahrenheit temperature scales? Show this mathematically using Eq. 1. Exercise 2 (You need to display the plots on the computer to help answer questions.) Q.2. Using the P vs. V graph from Section A, extrapolate your data to a volume of 2.5 mL (draw it). Rescale your plot to fit the data in the entire plot area. What pressure does this correspond to on the graph? Q.3. Using the P vs. 1/V graph from Section B, do a similar extrapolation to 2.5 mL. Rescale the plot. What pressure does this correspond to on the graph? Q.4. Which of these two values is likely to be the most trustworthy? Why? WHAT TO DO BRING TO LAB: 1. Print a copy of this experiment, read it and bring it to your laboratory class. 2. Bring your Lab Notebook with the PreLab assignment completed (See “PreLab Assignment” below). Your PreLab will be evaluated at the beginning of lab. You will not be allowed to do the experiment without the prelab assignment completed. The lab notebook can be purchased during the week for $15.00 (check –to: U.P.S. or cash-correct change appreciated) from SAACS or the Chemistry Administrative Assistant. 3. Bring Goggles and appropriate footwear. Approved goggles are available in Bookstore. 4. Bring a flash drive for obtaining a copy of the LoggerPro™ Installer and for saving data files and documents generated in the laboratory. 5. To Be Turned in From Exp. 2- Copper Chemistry: Be sure the assignment is removed from notebook and stapled before coming to lab. a. The First Page(s) must be the page with the answer to the all of the questions. b. The second page must be the Data Table and Calculations. c. The remaining pages will be all the “copy” pages that contain your Reactions and observations, in alphabetical order. PreLab Assignment (Experiment 3 Spreadsheets…) - Carefully read the experiment. Fill in the "Title bar" to include the experiment number, title, your name, date, lab section, and CA's name. This information should be included on each page in your laboratory notebook for all parts of this experiment. In lab: Copy the appropriate LoggerPro™ Installer to your flash drive for installing on your home computer. Complete the Exercises 1 and 2. Save the worksheets from these exercises onto the desktop using proper naming format for transferring to your flash drive or email. Show the Word™ documents to your CA before moving to the next exercise. The graphs and worksheets will need to be included in your Results section and the questions answered in your laboratory notebook to be handed in net week. Spreadsheets in Chemistry 8 (Exercise 1) The aim of this Exercise is for you to become familiar with a spreadsheet program. Answer Q.1. and save your Excel™ worksheet and the Word™ document to your flash drive for working with at home. (Exercise 2A/2B) The aim of this Exercise is to learn data collection and processing using the LoggerPro™ application. Collect P vs. V data and using the plotting in LoggerPro™ answer the Questions (Q.2. – Q.7) while in the application. Save your LoggerPro™ worksheet and the Word™ document to your flash drive for working with at home. While in lab copy the appropriate version of the LoggerPro™ Installer to your flash drive and install on your own computer. Need to save E.2A and E.2B (Plots from LoggerPro™). Printing results in the Chemistry lab will not be possible so you will have to save your worksheets and charts to your flash drive for continued formatting and printing from your computer. Read Laboratory Guideline Section VII. GUIDELINES FOR WRITING THE RESULTS AND DISCUSSION SECTIONS OF A REPORT. At Home after lab: Install the LoggerPro™ application on your computer and go online to www.vernier.com and download the latest version of LoggerPro™. Update the copy on your computer before continuing. Prepare and hand in a formal Results section for Exercise 1 and separate formal Results section for Exercise 2, Parts A and B. Each Results section should have a separate and proper Title. Exercise 1-Copy and paste the table and plot, properly titled and formatted, into a Word document; “Exercise 1. Celsius and Fahrenheit Results” Exercise 2 -For Exercise 2 Use the ”Table“ formatting to construct the data table for Exercise 2A and 2B and copy and paste the plots, properly titled and formatted, into a Word document titled “Exercise 2. Pressure and Volume Results”. For both Results sections you will need to write the text for a formal Results section as well as paste the Excel™ or LoggerPro™ plots from the experiment and add a proper caption. The completed Results sections are due in lab next week at the start of lab. The Results section of a paper must always begin with a few sentences describing the contents of the various tables and figures, referred to by number, as well as any relevant information that does not fit into tables. Your objective is to tell the reader where to find specific data. This text must not be redundant; don’t put data in both text and tables. To Be Turned in Next Lab: hand-in all of your notebook “copy” pages associated with this laboratory. Please include the answers to all the questions compiled together on the last copy page(s). You may need to display your plots on your computer to help answer questions. In addition Separately hand-in the printed pages (a Word document from Exercise 1 (result, table and plot) and a Word document from Exercise 2 (including results, two LoggerPro™ plots and a data table). Spreadsheets in Chemistry 9 Spreadsheets in Chemistry 10 APPENDIX GENERAL INSTRUCTIONS ABOUT SPREADSHEETS A spreadsheet is an array of addressable memory locations of undefined variable type. Each cell is addressed by a letter for the column and a number for a row. When you select a cell and type data to put into it, you will need to define the formatting you want for that data. Unfortunately, the default formatting is rarely the most appropriate. For example, when you type in a number it is entered as “general” data, with no set number of decimal places, and is right-justified. So if you entered 12.000, it would be displayed as 12. Also, typing 12.011 g/mol would not be recognized as a number usable in calculations because of the “g/mol”. In addition, if this were entered below a cell containing a heading it would probably not be directly below that heading, and may be so dramatically misaligned as to be unclear which heading it belongs to. Thus, simply typing in data is not enough. Every cell will need to have the number type and the alignment defined. Fortunately, you can often select a block of cells and define all of them at the same time. A formula is entered into a cell by beginning with “=”, which signals the program that the following characters define mathematical operations. You can use the addresses of other cells as variables, which is the great power of spreadsheets. In general, you can use the usual operators and parentheses, but often you will use functions, such as average(), sum(), etc with cell addresses in the (). These can be typed or constructed using a wizard as you like. It is often best to click a cell rather than type it, but the caveat is that any other cell you click will be entered into the formula until you type” enter”. When you fill a formula down or across, the variable addresses increment unless it is marked as absolute. Thus B14 filled down becomes B15; filled across it becomes C14. You can reference a cell as relative, for example, cell B14, or as absolute in column $B12, row B$12 or both $B$12 ( on a PC, with the F4 function button) . When these are filled the absolute address does not change. Once a formula is entered, you can see the cells addressed by double-clicking the cell. When entering numbers, you will need to define it as a number and select the number of decimal places displayed as needed by the significant figures of the data. You do this by selecting the cell and then “format cells” either by menu or by icon. Alternatively, you may wish to select scientific notation, however this is clumsy in many places and it is often better to put data in the appropriate power of ten. For example, if all your data is 10-9 g, label the heading as ng (nanogram) and multiply all the numbers by 109. This makes for a much more readable set of data. It is easier to compare 23.54 ng to 4.387 ng than 2.354 x 10-8g to 4.387 x 10-9g. While you are formatting the number, also format the alignment to center. To “Fill” down or across there are several options. First, when you click a cell you will see one of three different crosses as the cursor. An outline cross is used to select cells; a Maltese cross is used to move selected cells; and a solid black cross, visible only when the cursor is on the lower right corner, is used to fill. With the solid cross showing, move down or across while holding down on the mouse. On release, the cells will fill with either a copy of the number in the cell or an increment of the formula displayed as the result of the formula calculation. If you are filling a number, with the cells still highlighted, you can select “Fill” from the Edit menu and then the number being filled from the original cell can be set to a “Series” of various options as evident from the dialog box. If you are filling a formula the cell references will increment unless marked as absolute; any formatting is also filled. If you move the cells to another location, the formula addresses move also, but this may not work well if the references are not also moved by the same amount. Spreadsheets in Chemistry 11
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