User's Manual. Chemical software Acid-base equilibria for Windows. ABEW Version Windows XP - Windows Vista - Windows 7 - Windows 8 - Windows 10

Transcription

1 User's Manual EW Version 1.9. Chemical software cid-base equilibria for Windows Windows XP - Windows Vista - Windows 7 - Windows 8 - Windows 10 S O F T W R E Reference: EW ENGLIS

2 INDEX Introduction...3 Terms of use...3 Main window...4 Types of equilibrium calculations...7 Single acid or base solution equilibrium...7 Salt hydrolysis equilibrium...8 Mixture of acid + base equilibrium...8 uffer solution equilibrium...9 cid base titration equilibrium...9 Edit type of graphic window...10 Graphic window...11 Data table window...1 Examples...14 Example 1: Equilibrium of triprotic acid...14 Example : Titration of wea acid...15 Formulae of acid-base equilibria...16 Single acid or base solution equilibrium...16 Salt hydrolysis equilibrium...18 Mixture of acid + base equilibrium...19 uffer solution equilibrium...3 cid base titration equilibrium...5 Types of graphics...6 Shortcut eys...7 Specifications...8 Registered trademars...9

3 Introduction EW is a Windows application to solve acid-base chemical equilibrium. This manual isn't about acid-base reactions theory. Please, read this manual carefully in order to learn all the capabilities of the application. Terms of use In no event shall VaxaSoftware be liable to anyone for direct, indirect, special, collateral, incidental, or consequential damages by the use or impossibility of use of the software, nor by the effects in the operation of other software or the operating system. efore the installation we recommended to mae bacup of your data and create a restoration point. You will be able freely to evaluate the software during the time that considers necessary. Passed this period of evaluation you would have or to register it or uninstall it. To register the software, please see the option "REGISTER PPLICTION" in the help menu of the software. fter paying the registry fee you will receive by the REGISTRTION KEY of the software. Once registered the software, it will be able to use the options that were disabled until that moment. The REGISTRTION KEY is UNIQUE for EC COMPUTER. You cannot use the same REGISTRTION KEY for multiple computers. You can freely distribute unaltered copies of the installation system of the software to other users. You cannot decompile the software nor use no type of reverse engineer for its analysis or modification. You cannot use part or the totality of the software to create a new software. COOKIES Our site does not use cooies. Conflicts of shared files: VaxaSoftware assumes no liability for conflicts due to the incompatibility of shared files (*. dll, *. ocx and other files). VaxaSoftware's software use shared files (*.dll, *.ocx and other files). It is possible that the shared file already exists and whether or not previously replaced by a different version during the installation of the VaxaSoftware's software. This can cause the installed software may not wor and/or a third party software that shares the same file does not. lso the installation of a third party software can cause the VaxaSoftware's software or third party software may not wor correctly. VaxaSoftware will try to resolve these conflicts in a reasonable manner, despite its satisfactory resolution is not guaranteed. Design, products, specifications, and prices are for information purposes only. VaxaSoftware reserves the right to change or modify design, products, specifications, and prices at any time without prior notice. 3

4 Main window ( 1 ) Menu bar Fig. 1 Main window It contains the menus File, Type of calculation, Setup, and elp. File menu Exit Close the application. Type of calculation menu Single acid-base To perform equilibriums of single solutions of acids or bases. Salt hydrolysis To perform equilibriums of salts hydrolysis. Mixture: acid and base To perform equilibriums of mixtures of acids and bases. uffer solution To perform equilibriums of buffer solutions. Titration To perform titrations of acids and bases. 4

5 Setup menu elp menu Decimal separator: We can select either point. or comma, as decimal separator. The output values are shown using the selected decimal separator. Significant digits We can select between 4 and 1 significant digits for the output values. Ionic product of water Kw llow us to select the value of the ionic product of water Kw. We can select either pk W = (5 C) or pk W = (37 C) Note pkw = - log 10K W therefore K W = 10 pkw thus: pkw =14.00 K W = User's manual (PDF document)... Show this manual. pplication registration... Show the registration form window to register the application. pkw =13.59 K W = Disabled functions in the unregistered version Show the list of disabled functions when the application is not registered. ome page ( Connect to VaxaSoftware home page. n active Internet connection and a browser are required. bout... Show the Splash window with the version and description of the application. ( ) Tab bar Single acid-base To perform equilibriums of single solutions of acids or bases. Salt hydrolysis To perform equilibriums of salts hydrolysis. Mixture: acid and base To perform equilibriums of mixtures of acids and bases. uffer solution To perform equilibriums of buffer solutions. Titration To perform titrations of acids and bases. ( 3 ) Current calculation title Shows the title of the current equilibrium calculation. 5

6 ( 4 ) Option buttons llow us to select a more specific calculation. ( 5 ) First dissociation complete checbox llows us indicate when a diprotic or tripotic acid has its first dissociation is complete. (It's mean the first acidity constant is infinity: 1 = ). ( 6 ) Input textboxes llow us to enter the input values. The numeric values can be entered in the following formats: - Standard numbers: 0.4; Percentage: 90%; 1% - Fractions: /3; 5/8 - Scientific notation: E-4 (equal to x10-4 = 0.000) Note 1 Decimal separator: We can use either point. or comma, as decimal separator. The output value is shown using the same decimal separator. Note Scientific notation: The scientific notation is used to show very big or very small numbers. scientific notation number has a mantissa and a power of 10. In order to enter a scientific notation number we use letter E to input the exponent of 10. Examples: is entered as 5.67 E is entered as 1.3 E-34 ( 7 ) Calculate, Graphic and Clear buttons Calculate button Calculate output values from input values. Graphic button Show Edit type of graphic window. Clear button Clear all the input/output values. ( 8 ) Output textboxes Shows the output values. ( 9 ) Formulas Shows the formulas of the current equilibrium. 6

7 ( 10 ) Window control buttons These are the classics buttons of the windows of MS-Windows. Minimize button Minimize the application to an icon on the destop. Maximize / Restore button Maximize / restore the application's window size. Close button Close the application. lso we can press lt + F4 eys on our eyboard. Types of equilibrium calculations This application can perform 5 main types of equilibrium calculations. We'll do clic the appropriate tab to select the desired type of calculation. Single acid or base solution equilibrium The following calculations are available: - Strong acid. - Wea monoprotic acid. - Wea diprotic acid. - Wea triprotic acid. - Strong base - Wea base. Fig. Note If the acid is diprotic or tripotic and its first dissociation stage is complete then we press the First dissociation is complete checbox. (It's mean the first acidity constant is infinity: 1 = ). 7

8 Salt hydrolysis equilibrium The following calculations are available: - Salt from strong acid and strong base. - Salt from strong acid and wea base. - Salt from wea acid and strong base. - Salt from wea acid and wea base. Fig. 3 Mixture of acid + base equilibrium The following calculations are available: - Strong acid + strong base. - Strong acid + wea base. - Wea (monoprotic) acid + strong base. - Wea (monoprotic) acid + wea base. - Diprotic acid + strong base. - Triprotic acid + strong base. Fig. 4 Note If the acid is diprotic or tripotic and its first dissociation stage is complete then we press the First dissociation is complete checbox. (It's mean the first acidity constant is infinity: 1 = ). 8

9 uffer solution equilibrium The following calculations are available: Fig. 5 - uffer of wea acid and its salt. - uffer of wea base and its salt. - uffer of wea acid and its salt (strong acid is added). - uffer of wea base and its salt (strong acid is added). - uffer of wea acid and its salt (strong base is added). - uffer of wea base and its salt (strong base is added). cid-base titration equilibrium The following calculations are available: Fig. 6 - Titration of strong acid with strong base. - Titration of wea (monoprotic) acid with strong base. - Titration of strong base with strong acid. - Titration of wea base with strong acid. - Titration of diprotic acid with strong base. - Titration of triprotic acid with strong base. Note If the acid is diprotic or tripotic and its first dissociation stage is complete then we press the First dissociation is complete checbox. (It's mean the first acidity constant is infinity: 1 = ). 9

10 Edit type of graphic window Fig. 7 Selecting type of graphic window This window allows us to select the graph type to represent the equilibrium calculation. 10

11 Graphic window Fig. 8 Graphic window The graphic window shows the graph for the selected type of equilibrium calculation. This window has the following menus and buttons: File menu Edit type of graphic... Open the Edit type of graphic window. Save image as... Save the graph as a itmap file. Print... Open the Print window. In it we can select the printer destination and specify the number of copies. Close Close the window. Edit menu Copy Copy the graph to the clipboard. 11

12 View menu Data table Open the Data table window. uttons: Edit... button Open the Edit type of graphic window. Data table button Open the Data table window. Print... button Open the Print window. In it we can select the printer destination and specify the number of copies. Copy button Copy the graph to the clipboard. Close button Close the window. Data table window Fig. 9 Data table window 1

13 The Data table window displays the data table of the current graphic. This window has the following menus and buttons: File menu Save data table as... Save the data table as text file. Note Some formats might get lost. Print... Open the Print window. In it we can select the printer destination and specify the number of copies. Close Close the window. Edit menu Copy Copy the data table to the clipboard. Note Some formats might get lost. Print.. Open the Print window. In it we can select the printer destination and specify the number of copies. uttons: Print... button Open the Print window. In it we can select the printer destination and specify the number of copies. Copy button Copy the data table to the clipboard. Close button Close the window. 13

14 Examples The following examples assume that the ionic product of water is p = Example 1 Equilibrium of triprotic acid. We have a solution of phosphoric acid ( 3PO 4) with a concentration of 0. mol/l. The dissociation constants are 1 = = = a) Calculate the p of this solution. b) Mae the graph of the distribution of molar fractions of species derived from the acid versus p and its corresponding data table. Resolution procedure 1) Select the tab Single acid or base. ) Select the option Wea triprotic acid. 3) Enter values: C a = 0. 1 = 1.1E- = 1.57E-7 3 = 3.6E-13 4) Press Calculate button: 5) We get the value of p: p = 1,38 6) Press Graphic button to show the Edit type of graphic window. 7) In this window, select the option Molar fractions i of acid derivatives versus p. 8) Then the Graphic window is shown. (see Fig. 8). Recall that in this case, the molar fractions are: 0 = [ 3 PO 4 / C a 1 = [ PO 4 / C a = [PO 4 / C a 3 = [PO 4 3 / C a 9) Press Data table button to show the Data table window. (see Fig. 9). 14

15 Example Titration of wea acid We have titrated 30 ml of a solution of acetic acid (wea acid) with 4 ml of mol/l of sodium hydroxide solution (NaO, strong base). The dissociation constant of acetic acid is: a = a) Calculate the concentration of acetic acid. b) Find the p at the equivalence point. c) Mae the graph of the p versus volume of added strong base. Resolution procedure 1) Select the tab Titration. ) Select the option Wea acid with strong base. 3) Enter values: V a = 30 a = 1.8E-5 C S = V eq = 4 4) Press Calculate button: 5) We get the value of concentration of acetic acid and p at the equivalence point: C a = mol/l p eq = ) Press Graphic button to show the Edit type of graphic window. 7) In this window, select the option p versus volume of added strong base. 8) Then the Graphic window is opened showing the titration curve. (see Fig. 10). Fig. 10 Titration curve of acetic acid with sodium hydroxide. 15

16 Formulae of acid-base equilibria Single acid or base solution equilibrium Strong acid [ [O [ 0 [ C a [ [O [ Strong base O O [ [O [O 0 C [ b [ [ [O Wea base O O b [ [O [O w [ [O [O C b [ [ C b [ [ [O Wea monoprotic acid a [ [ [ w [ [O [ [ C a [ C a [ [O [ 16

17 Wea diprotic acid [ [ 1 [ [ [ [ [ [O Wea diprotic acid [ [ C a [ [ [O [ [ 1 First dissociation is complete: 1 = [ [ [ [ [O Wea triprotic acid [ 0 [ [ C a [ [O [ 3 [ [ [ 1 [ 3 [ [ [ 3 3 [ [ [ 3 [ [O [ [ C a 3 [ [O [ [ [ [ 3 3[ 3 17

18 Wea triprotic acid 3 1 First dissociation is complete: 1 = [ [ [ 3 3 [ [ [ 3 [ [O [ 3 0 [ [ C a [ [O [ [ 3 [ 3[ 3 Salt hydrolysis equilibrium Salt: nion from strong acid Cation from strong base [ [O [ 0 [ [ C S [ [ [O [ Salt: nion from strong acid Cation from wea base O O b [ [O [O [ [O [ 0 [ [O C S [ [ [ [O [ 18

19 Salt: nion from wea acid Cation from strong base a [ [ [ [ [O [ 0 [ [ C S [ [ [ [O [ Salt: nion from wea acid Cation from wea base O O b [ [O [O a [ [ [ [ [O [ 0 [ [O C S [ [ [ [ [O [ Mixture of acid + base equilibrium Strong acid + strong base O O [ [O [ 0 [O 0 C [, [ a C b [ [ [O [ 19

20 Strong acid + wea base O O b [ [O [O [ [O Wea acid + strong base Wea acid + wea base [ 0 [ C, [O [ a C b [ [ [O O O [ [O [ a [O 0 C [ [, [ a [ [ [O C b [ a [ [ [ [ [ [ O O b [ [O [O [ [O [ [ C a C b [O [ [ [ [O [ 0

21 Wea diprotic acid + strong base 1 [ [ [ [ [ [ O [ [O O [O 0 [ [ C a C b [ [ Wea diprotic acid + strong base [ [ [O [ 1 [ First dissociation is complete: 1 = [ [ [ O [ [O O [ 0 [O 0 C [ [, [ a [ [ [O C b [ [ 1

22 Wea triprotic acid + strong base 3 1 [ [ [ 3 [ [ [ 3 3 [ [ [ 3 O O [ [O [O 0 [ [ C a C b [ 3 [ [ 3 Wea triprotic acid + strong base [ [ [O [ [ 3 1 3[ 3 First dissociation is complete: 1 = [ [ [ 3 3 [ [ [ 3 O [ [O O [ 3 0 [O 0 3 C [ [ [, [ a [ [ [O [ [ C b 3[ 3

23 uffer solution equilibrium uffer of wea acid and its salt a [ [ [ [ [O [ 0 C a C [ C S S [ [ [ [ [O [ uffer of wea base and its salt O O b [ [O [O [ [O [ 0 C b C [O C S S [ [ [ [ [O [ uffer of wea acid and its salt (strong acid is added) X X a [ [ [ [ [O [ 0, [X 0 C a C [ S [ C [, [X S C S [ [ [O [ [X 3

24 uffer of wea base and its salt (strong acid is added) O X O X b [ [O [O [ [O [ 0, [X 0 uffer of wea acid and its salt (strong base is added) uffer of wea base and its salt (strong base is added) C b C [O S [ C [, [X S C S [ [ [O ZO [ Z [O O [ 0, [ZO 0 C a C [ S [ C [, [Z S C S [ [ [Z O ZO [ Z [O O O [ a [O [X [ [ [ b [ [ [O [O [ 0, [ZO 0 C b C [O S [ C [, [Z S C S [ [ [Z [O [ 4

25 cid-base titration equilibrium Titration of monoprotic base with strong acid O O V eq C b C V S b Titration of monoprotic acid with strong base O O V eq C a C V S a Titration of diprotic acid with strong base O O V eq C C a S V a, V eq1 V eq Titration of triprotic acid with strong base 3 3O 3 3 O V eq 3C C a S V a, V eq1 V eq 3, V eq V 3 eq 5

26 Types of graphics p vs. C a p vs. pc a p vs. C b p vs. pc b p vs. C S p vs. pc S p vs. a p vs. p a p vs. b p vs. p b vs. C a vs. pca vs. Cb vs. pcb 0, 1 vs. p 0, 1 vs. p 0, 1, vs. p 0, 1,, 3 vs. p p vs. C S p vs. pc S p vs. C S p vs. pc S p vs. V S p vs. V S p/pv vs. V S p/pv vs. V S p versus acid concentration C a p versus acid concentration. pc a = log 10C a p versus base concentration C b p versus base concentration. pc b = log 10C b p versus salt concentration C S p versus salt concentration. pc S = log 10C S p versus acidity constant a p versus acidity constant. p a = log 10 a p versus base dissociation constant b p versus base dissociation constant. p b = log 10 b Degree of dissociation versus acid concentration C a Degree of dissociation versus acid concentration. pc a = log 10C a Degree of dissociation versus base concentration C b Degree of dissociation versus base concentration. pc b = log 10C b Molar fractions i of acid derivatives versus p Molar fractions i of base derivatives versus p Molar fractions i of acid derivatives versus p Molar fractions i of acid derivatives versus p p versus added strong acid concentration C S p versus added strong acid concentration. pc S = log 10C S p versus added strong base concentration C S p versus added strong base concentration. pc S = log 10C S p versus volume of added strong acid V S p versus volume of added strong base V S Rate of change of p with change of volume versus volume of added strong acid V S Rate of change of p with change of volume versus volume of added strong base V S 6

27 Shortcut eys Main window Ctrl + F4 lt + F4 F1 Exit Exit elp: Show User's Manual (PDF document...) Graphic window Ctrl + E Ctrl + S Ctrl + P Ctrl + C Ctrl + T Ctrl + F4 lt + F4 Open the Edit type of graphic window Save graphic as itmap file Print graphic Copy graphic to the clipboard Open the Data table window Close window Close window Data table window Ctrl + S Ctrl + P Ctrl + C Ctrl + F4 lt + F4 Save data table as text file Print data table Copy data table to the clipboard as text Close window Close window 7

28 Specifications Description EW is a Windows application to solve acid-base chemical equilibrium. License Shareware Precision Output: between 4 and 1 significant digits. Decimal separator for input values Point or comma. Decimal separator for output values The same separator that used in the last value entered or the last one selected in the setup menu. Ionic product of water K W values: pk W = at 5 C, pk W = at 37 C Types of graphics 6 types (see the Types of graphics table) Main types of calculations: 5 main types: - Single acid-base - Salt hydrolysis - Mixture: acid and base - uffer solution - Titration Types of calculations (total): 34 types: - Single acid-base (8 types) - Salt hydrolysis (4 types) - Mixture: acid and base (8 types) - uffer solution (6 types) - Titration (8 types) Range of p, pc i and pk i in graphics Minimum: -1 Maximum: 15 8

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