ASYSTANT (ASYST Software Technologies) - Journal of Chemical

ACS eBooks; C&EN Global Enterprise .... ASYSTANT (ASYST Software Technologies) ... Abstract. A powerful mathematical and statistical analysis software...
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ries directed a t identifying a structure consistent with the soeetrauresented. Ifelt that thlisertionaasiot dev;lopedas thoroughly as the other two. A final module directed toward rdentrfication of unknowns for which all three spectra were presented would have been welcome to give additional practice in interpretation of spectra. We have had an opportunity to use this in our Instrumental Analysis course where the instructor assigned the IR section in place of an introductory lecture. The students felt that it was an excellent introduction and that it helped them significantly in their analysis of unknown sample spectra. Other than the problem with the help (Fl) key noted above, they had no difficulty using the software. The students used the orogram wlthout seeing the manual and reported no instances uf the program crrtshing. By breaking the topic up into so many nuhtopics they could easily return to the program after leaving it, without unnecessary repetition. I t should he pointed out that the user is asked to enter a response via the return key, hut the space har has the same effect and it is more convenient. We did not encounter any errors in content and, considering the amount of text presented, the two or three typographical errors were only slightly distracting. Program execution, on an 80286 based computer with a bard drive, was sufficiently fast that delays were not noticeable. These programs are so easy to use that no additional exolanation is necessarv. The manual that romea wrththedisks inrludrsa procedure for rnstdling the prugrams. The mstnrrtlons were easy to follow and the Installation procedure worked exactly as described. The manual also includes a brief description of each of the topics covered and a list of the 40 compounds used as 'H NMR unknowns. James E. Byrd Callfornla State Unlversily. Stanislaus Turlock, CA 95380

ASYSTANT ASYST Software Technologies, Inc., 100 Corporate Woods. Rochester, NY 14623 Hardware:

Components: Level and Subject: cost:

IBM PC XTlAT or 100% compatible with Math Coprocessor and hard disk Soflware and Manuals Advanced undergraduate. graduate laboratory course and hard disk $495

Summary Ratlngs: Category Ease of Use: Subrnl Mallw CmMnf: P e d o ~ p ~Value: Ic Sludenl Rsacllon:

E~osllent Gwd Average Good

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The scientific number crunching package Asystant by Asyst Software Technologies, Ine. is a powerful mathematical and statistical analysis software tool. I t is designed to meet research needs of scientists and engineers. Asvstant reouires verv little eomouter bark,qround. However, in ordcr to exploit all its rnpahilitier the user must be profi-

cient in differential and integral calculus. advanced matrix algebra, and waveform analysis. This product is not intended to be an instructional software package. However, it will find its usefulness in graduate courses in Quantum Mechanics, Physical Chemistry, Chemical Physics, Inorganic Chemistry, and Phvsics. I t mav be used to circumvent complex mathematical procedures, thus enabling the students to concentrate on the ronrepts of rhemistry. Asyrlont will be mostly useful in advanced laboratory courses and analysis of research data. The Asystont package comes with a very well organized and easy to comprehend tutorial and reference manuals. The tutorial manual is divided inta seven chapters. These chapters guide the users through various features of Asystant. Agystont does have an ereellent context sensitive help. However, it does not contain a disk-based tutorial, which we believe, would havegreatly enhanced learning. Asystont is fully menu driven. The menu system is divided inta two, the main menu and the secondary menu. You may toggle between the two menus by using (PgUpl and (PgDnJkeys. The main menu offers graphics, polynomial analysis, waveform generator and processor, differential equation solver, curve fitting, and statistical analysis capabilities. Asystant has excellent graphic features. Its graphics capabilities include cartesian -xy and logarithmic plots of one- or twodimensional arrays as well as axonometric and contour plots of two-dimensional array. However, polar plots are not available. Graphs may be manipulated several ways. For example, x and y axes may be automaticallv scaled or manuallv soecified. Window sizes mav he adiusted. Grid.. oriein..~and labels mny be specified. Aaonometrir plot menu includes uptiuna for amplitudp compression factor, horizontal shift, and vertical hase fraction. Asystont can display up to nine windows simultaneously, which makes it easier to compare different sets of experimental and research data. The absence of VGA suooort limits on-screen maohics resolution.?he graphics output may be directed to one of several supported printers or plotters. Asystont cannot read Lotus 123 Nes directly, but, an ASCII file or a DIF file may be converted to Agvstont subfile using the File I10 feature of the main menu. A comprehensive set of pnredures built into the file processor allows the user to process large and multrple data rets aummatically and assign them to various arrays or files. Two polynomials can be added, suhtracted, multiplied, and divided. Asystant can integrate, differentiate, and find roots of polynomials as well. However, the most impressive feature is its ability to generate Legendre, Laguerre, Tchebyshev, and Hermite polynomials. Although, polynomials of only up to 10th degree may he processed. The main menu also offers an Ordinary Differential Equations (ODE) solver. ODE's of up to fifth order can be solved, and the results may be displayed graphically. First order ODE's mav be solved verv easilv. .. alrhough, wiving higher order O L require ~ substantial knowledge of differential calculus. Asystant can fit linear, polynomial, loga~

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rithmic, exponential, multilinear, and userdefined functions. The user-defined functions mav he fitted usinn one of the three ~, available algorithms. rin., Gaurs Newton, BFtiS, and hybrid of the two. Although a predefined cubic spline rurve-fitting function is not available. A very good statistical analysis package is built into Asystant. Once the data set is provided in the form of an array, sum, mean, median, sample variance, standard deviation, skewness, kurtosis, sum of squares, and rms may he computed. More advanced features like hypothesis test, ANOVA and regression analysis may also be computed with ease. Asystant is among few equation solving packages that also incorporate a fairly soohistieated waveform eenerator and calculator. As)atonl isan analog funrtiongenerator with pnrviaions for waveform type.gain, bias, and frequencv rontrols. Various wareforms, sine, cosine, square, etc., may be generated. Also, uniform and normal noise distribution may he generated. The waveform calculator acts on a one-dimensional array and has an ability of displaying the results in a graphical fashion. A waveform may be split into several segments and may be worked on separately. The waveform processor in the main menu incorporates two primary options, processing and analysis. Using the process menu user can smooth a waveform and generate its derivative and integral waveforms. Asystant also calculates the power spectrum using Fast Fourier transform (FFT) and envelop of the spectrum using Hilbert transform techniques. The analysis option enables the calculation of basic statistical data (like mean, sd, rms, etc.), peak width, area under the curve, rise time, and fall time. The secondary menu is organized into four submenus. All the secondary menu functions work on stack contents. The four submenus are accessible by the next command on the top of the secondary menu. These suhmenus offer a scientific calculator, an array manipulator, a special functions calculator, and a matrix and waveform analyzer. The first of the secondary menus is an excellent scientific calculator with trigonometric and logarithmic functions. This calculator works on a RPN (Reverse Polish Notation) Logic like any H P calculator. Althoughany computation followed by a slash (0forces a regular calculator mode. Numbers or arrays are entered in stacks and various ooerations are oerformed on the stacks top down These stacks may be eas~lyman~pulatedurmg functrunr lcke swap and roll Array operations menu (one of the secondary menus) lets user create and manipulate arrays. Two arrays may be added, subtracted, and multiplied. This menu also provides array transpose, reshape, sort, and search facilities. The conversions and special functions submenu is extremely-useful for advanced mathematical operations. Cartesian and spherical coordinates can he interconverted. A complex number may he represented in polar or rectangular form, conversion of one representation to another may be easily carried out. Asystant can compute complex conjugate, modulo, permutations, and com(Continued on page A1961 ~~~~~~

Volume 67

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Number 7

July 1990

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binations. Various special functions may he computed. These include Bessel, spherical Bessel, Gamma, Beta, error functions, and ellintie inteersls. ~ ~ , The a w c and matrisoperationssuhmenu has matrix upwations like finding determinant of a matrix, mwrreofa matrix, simple and Kronecker matrix products, and determination of trace of a matrix. The wave operations are integration and differentiation of an array, and calculating its FFT, 2-D FFT, and inverse FFT. Power Spectrum can he computed. Various complex waveform operation options are also available. We found Asystant to he a very good equation-solving package. However, it must he painted out, that analytical differentiation and integration may he carried out with polynomials only and not with any other trigonometric or algebraic functions. This is the best waveform eenerator and analvsis software we hare seen in t h ~ sprice range. We are confident that it w~llfind numerous instructional uses. Several main menu items cannot he opened unless an array ia previously defined. We find this especially annoying. There is however a minicalculator that provides array manipulation and other features that can he activated once one of these menus is opened. There is a scope for improvement in the user interface of Agvstant. Recent versions of MathCad and Eureka come with mouse support. Asystant does not. The report generator facilities of Asystant are built intoan esailv accessible noteoad. This noteoad is a vervorimitivs text editor. and its o& real, istic function is tostore raw data, which may then be retrieved intoa regular word processor. Graphs and text cannot be comhined in this notepad. The list price of $495.00 is beyond the means of a student. Also, we are unaware of any student version of Asystont. The cost1 performance ratio demands comparison with other equation-solving packages of the same price range. TK!Soluer, MathCad and Mothematica are equivalent packages in the same price range. In our opinion, if the user is looking for acalculator-like interface, Asystant is a clear winner. If, however, you feel more comfortable with a blackboardlike interface, MathCad may he a better choice. ThemathematicalfeaturesofMathematica are much more advanced than Asystant, although its hardware requirement is rather steep (at least an IBM compatible 1.80386 machine is required). MathCad and Mothematica lack comparable waveform analysis features, and their editors are much more difficult to master. The learning curve for Mathernatica and MathCad is muchsteeper than that for Asystant. Chemistry problem-solving hooks are available for Eureka and TK! Soluer. In that sense, these packages are better supported, although they are not assophisticated Asystant. Asystant was tested on an IBM PC with an Intel-80386120 computer with an I80381120 math coprocessor, and 4 Meg memory. The minimal system configuration requires an IBM P C K T or compatible, with 640K memory. I t supports various graphics cards, although for a package this ~

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A196

Journal of Chemical Education

good in graphics, it ia surprising that there is no support for VGA, or enhanced VGA. A math coprocessor (8087) or higher and a hard disk are required. Overall, it was a pleasure to work with Asystant. I t compares very favorably with other number-crunching. equation-solving packages. I t is extremely easy to use, and may be easily adopted far research and advanced laboratory courses. Ajay Shah D e ~ t of . Chemi~t~ S. ~ a k s h m ~i a m a r a j ; DeDt. of Electrical Enaineerina University of Mississippi University. MS 38677

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useful ehanees which allow the student to experience and learn chemistry. It is a readable text designed to bc a learning tool for the seriomn student. Other featured of this book include many worked problems, an excellent set of review questions and problems of varying difficulty a t the end of each ehapter, and the effective use of color in photographs and illustrations. A complete paekage of supplements accompany this text. I recommend that teachers of general chemistry carefully consider this text in their adoption review proeess. Daniel T. Haworth Marqueue University

Milwaukee. W1 53233

General Chemistry: Prlnclples a n d Structure, Fiflh Edltlon James E. Brady. Wiiey: New York. NY. 1990.x+ 921 pp. Figs.andtables. 21.2 X 26 cm. $49.95.

One Hundred Years of Chemlcal Englneerlng: From Lewis M. Norton (M.I.T. 1888) t o Present Nikolaos A. Peppas (Editor). Kluwer Academic Publishers: Dordrecht, The NetherlandslBoston1London. 1969. vIii+ 414 pp. Figs. & tables. 14.6 X 22.2 cm. $99.00.

This hook, now in its Fifth Edition, remains an interesting and easily understood text for the student and is up-to-date with respect to trends for teachers of chemistry. These objectives, as indicated by the author, have been fully met in this edition. This edition consists of six parts: a basic introduction to chemistry, theory of electronic structure and bonding, physical properties of substances, factors that control chemical reactions, descriptive chemistry, and nuclear reactions. The chapters have been written to accommodate a flexibility of piesentation that will satisfy most individual preferences to teachers of chemistry. Substantial changes have been made in the presentation of topics. Some of these changes were suggested by this reviewer of the Fourth Edition (J. Chem. Educ. 65, 1988, A25). Some of these changes are the introduction of thermochemistry early in Part 11. The bonding chapter has been rewritten and the discussion of molecular orbital theory is now in the Appendix. The chapter on the gas Lawe has been shortened and a good hlend of theory and practice is presented in the chapter on thermodynamics. The Bransted-Lowry theory underlines the acid-base equilibria chapter. Cell diagrams are now included for galvanic cells. Of particular interest is the addition of tables of thermodynamic data collected in the Apoendir. I t would he amiss for this reviewer rake credit for any of these changes: however, it is pleasmg to know that authors do seriously conslder thoughtful re\,iewa and comments from rolleegues. The elimination of selective precipitation of metal sulfides has heen replaced by using metal hydroxides and carbonates. This omission, while justified due to the complexity of the topic, represents a blow to those of the teachers who have long taught the theory of qualitative analysia using hydrogen sulfide for metal sulfide separation. Also deleted are the chapters on organic chemistry and biochemistry; however, sufficient elementary organic chemistry is included in Chapter 22, along with a section on inorganic and organic polymers in Chapter 23. Other eliminations have reduced the ..~ size of t h i ~hook by 50 pages from its previousedition. I hope this trend will continue. This Fifth 14:dition has incorporated many

In September 1888 at the Massachusetts Institute of Technology Prof. Lewis Mills h'ortun (1855-1.393) introduced a cuurse on industrial chemistry-the first structured course in chemical engineering in the United States. Other chemistry departments soon introduced four-year programs in this s u b j e e e t h e University of Pennsylvania and Tulane University in 1894 and the University of Michigan and Tufts University in 1898. In 1893, on Norton's death, his successor, Frank H. Thorpe (1864-1932), took over his course and in 1898 published Outlines of industrial Chemistry-the first texthook of chemical engineering. The American Institute of Chemical Engineers was founded in 1908 with 40 members. (The current membership of the A I C ~ Eis 55,000.) Since these early beginnings as a simple induotrial chemical analysis uf processes, chemical engineering has developed into a mature field. To commemorate the centenary of Norton's course an American Chemical Society symposium was held at the Third Chemical Coneress of North America (Toronto. June 5-10. 1988). The hook under revipw. a volume in Kluwer'~Chemists and Chemistry series, includes 18 of the symposium papers, ranging in length from 8 to 69 pages, by 22 contributors (some authoring more than one paper) from the United States, England, Austria, the Netherlands, and India. The subtitle gives a false impression of the time coverage of the book, for some of the essays consider developments much earlier than Norton's course (the one on India deals with events as early as 2500 BC). The volume presents a thorough historical analysis of the origins of chemical engineering, theevolution of industrial chemistry, unit operations. thermodvnamics. reaction eneineering, ;ransport phenomena, mathematical analysis, and the modern interdisciplinary approach. Chapters are dwoted to the field as shown in its texts and journals, especially Chemical Engineering Science (Pergamon Press). One of the editor's four contributions examines the academic connections of 20thcpntury Amerrcnn chemical engineers, with emphasiron the influenceof 1Rth-and 19thcentury Swedmh, French, and German

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