Laborant Chemstation for Windows (LCS) (english version) Version: 1.21 (02.01.2003) FREEWARE (english version) -------- Program author: Jens Schulz Rosenstraße 5 D-25368 Kiebitzreihe Homepage: http://www.lcs-chemie.de Email: jschulz-lcs@t-online.de Germany LCS is a chemistry and data analysis program. LCS isn't a chemistry education program. It's a program for your daily laboratory work. LCS supports an enormous range of chemical, numerical und statistical functions. I believe, you´ve never seen such a comprehensive chemistry program as FREEWARE. LCS is a Windows 3.1 program, but it works under Windows95/98 and Windows NT, too. You can use LCS on PowerMacs with the Virtual PC 3.0 emulator. LINUX users can use the WINE windows emulator for LCS. This is a short overview about the basics of LCS. Additional, LCS includes a huge english ONLINE-help for every subject of LCS. Hardware requirement: --------------------- - min. 486DX33 / 8MB RAM / 640*480 16 colors or higher (386/40 4MB is possible, too) Graphic resolution: 1024*768/256 colors will be great - min. 3 MB free harddisc space Copyright : see file COPYRGHT.TXT --------------------------------- Installation: ------------- Copy LCS_E121.ZIP from my website. The program LABORANT.EXE will start LCS. Decompress the the ZIP file in your destination directory. Start Laborant.,exe in the folder LCS_ENGL. LCS is a very stable program. If your LCS is unstable, please read the file BUGS.TXT for BWCC.DLL/BC450RTL.DLL bug fixing. INDEX: ------ This is an index of all functions of LCS. LCS has an enormous range of chemical, numerical and statistical functions. It´s a very fast and compact windows application. The program algorithms of LCS are optimized for speed and size. 1. Stoichiometry, formulas and equations - Molmass determination of formula - Quantities in formulas - Quantities in equations - Build a chemical equation - Titration - Empiric formula - Kjeldahl analysis - Formula macro handling - Formula buffering - Load/save equations 2. Chemical solutions and conversions - Chemical mixture solver (great tool !) - Convert units - Convert mol in quantity - Convert quantity in mol - Convert mass constituent in molarity - Convert molarity in mass constituent - Determine molarity - Determine molality - Solution of crystalline water substances - Mixture rules / cross - Solution of titrimetric standard substances 3. Thermochemistry - Thermochemistry database handling - THC database import and export - Analysis of thermochemical reactions - Analyze only educt sides of THC-reaction - Reaction enthalpy: - dH = -R(lnK1-lnK1)/(1/T1-1/T2) - dH = dG + TdS - Entropy change: - dS = (dH-dG)/T - dS = nR*ln(P1/P2) - Free energy change: - dG = -RT*lnK - dG = dH - TdS - dG = nF*E0 - Equilibrium constant K: - K aus MWG berechnen - K = exp(-dG/RT) - K = exp((E0*nF)/RT) - K2 = exp(dH/R*((T2-T1)/(T1*T2))+lnK1) - Ulich approximation for K - Calculate Cp(T) with temperature polynomial - Transform Cp(T) polynomials - Chemical equilibria (iterative) - Electromotive force (EMF) : - EMF =-dG/nF - EMF = RT*lnK/nF - Nernst equation: - E = E0 - RTlnQ/nF - E0 = E + RTlnQ/nF - Determine molmass with osmotic pressure - Determine molmass with vapor pressure depression - Clausius-Clapeyron equation: - Vapor enthalpy (from T,p datas) - Vapor pressure p2 - Temperature T2 - Enthalpy of gaseous ions from organic molecules - Enthalpy table of gaseous ions - Add bond energies of organic molecules - Van der Waals equation: - Molar volume (Newton) - a,b for critical point - 2nd virial coefficient B - Freezing-point depression: - Beckmann method - Rast method 3. pH calculations - pH of strong acid - pH of strong base - pH of 1-protonic acid - pH of 2-protonic acid - pH of 1-base - pH of 2-base - pH of 1-protonic acid (iterative) - pH of n-protonic acid (iterative) - pH of salt solution type HA/B - pH of n-protonic acid and 1-base - Titration curves of HA, H2A, H3A with MOH - Titration degree tau from pH of n-protonic acid with m-base - pH from titration degree tau of n-protonic acid with m-base - Linear pH diagram (file) - Logarithmic pH diagram (file) - pH of buffer HA/A- + HX - Buffer capacity ß of HA/A- - Buffer capacity ßmax - Ionic strength - Solubility Cs - Solubility product - Protonation constant a of n-protonic acids - Table of pKa values - Table of pKb values - Ampholyte info 4. Reaction kinetics - Reaction order / rate constant (method 1) - Reaction order / rate constant (method 2) - Reaction order (method 3) - Activation energy (Arrhenius) - Rate constant (Arrhenius) - Consecutive reaction 1st order A->B->C - Reversible reaction 1st order A <=> B - Parallel reaction 1st order A->B A->C - Solution of elementary reactions with differential equation systems (DEQ) 5. Electrochemistry - Activation coefficient (Debye-Hückel) - Standard potentials (table) - Quantity from electrochemical reaction 7. Biochemistry - Polypeptide sequencer (element proportion) - DNA/RNA sequencer (element proportion) - Table of nucleotides - Table of amino acids - Load/save biochemical sequences - Input rules for biochemical sequences 8. Optical methods - Convert extinction <-> transmission - Lambert-Beer law: - c = E/ed - m = E*V*M/(e*d) - Molar rotation - Molar extinction coefficient - e = E/cd - e = E*M*V/(m*d) 9. Gas laws - Boyle-Mariotte law - Gay-Lussac law - Ideal gas law - Molmass determination of gases - Convert molvolume in liter - Convert liter in molvolume 10. Miscellaneous - Distribution equilibria (Nernst) - Quantity n after x extractions - Calculate number of extractions - Calculate viscosity 11. Periodic system of elements - Integrated PSE - Element information - Group information - Cation information - Anion information 12. Tables - Important physical constants - Cryoscopic constants - Important spectra lines - Density of inorganic solvents - Density of organic solvents 13. Exercise programs - Formula exerciser (great !) - Formula identifier 14. Function parser - Function parser for functions of type f(x) and f(x,y) - Function manager - Function calculation 15. Differential equations (DEQ) - Runge-Kutta method 4th order - Runge-Kutta-Fehlberg method - Solve stiff DEQ 16. Numerical mathematics - Linear regeression - Polynomial approximation 2nd - 5th degree - Approximation of function type: - A(x) = a * e^(bx) - A(x) = a * x^b - A(x) = a + b*ln(x) - A(x) = a + b*1/x - Numeric integration (Simpson) - Numeric differentation of data set - Fourier approximation (real) - Romberg integration - Integration with cubic splines - Finding of roots (Newton-Raphson) 17. Statistics - Q-test (outlying test n<=10) - Outlying test(n>10) - F-test - t-test (Student test) - Bartlett test - Gamma function - Simple analysis of variance - Coefficient of correlation - Limit of detection - Normal distribution (probability P) 18. Data input window - Load/save experimental data - Import/export of datas - Edit, sort and transform data 19. Error determination - Arithmetic mean - Median - Range - Standard deviation - Variance - Coefficient of variation - Mean error of mean value 20. Data import/export - Data export: - Standard format of LCS .MSW - ASCII Delimited .DEL - EXCEL-ASCII format .CSV - DIF format .DIF - Microsoft Symbolic Link Format .SLK - ASCII text - HMTL table - Data import - CSV format - EXCEL ASCII format - dBase III DBF format 21. Linear equation systems / matrices - Load/save LES / matrix - Edit LES/matrix - Transponate matrix - Solve linear equation system - Calculate determinant - Invers matrix - Householder transformation - Determine eigenvalues - Matrix condition (Hadamard) - Add matrices - Multiply matrices 22. Data plotter window - Plot data and regression curves - Plot mathematical functions f(x), f'(x) and integral of f(x) - Scale graph and set grid - Set title and axis text - Zoom graph - Save graph as BMP picture - Save graph into clipboard 23. TeX-/RTF support - TeX formula generation - TeX equation generation - TeX data table generation - TeX LES generation - TeX LES solution generation - TeX matrix generation - TeX determinant generation - Save formula/equation in RTF format --------------------------------------- History ------- Version 1.21: - Simplify the switch between data graphs and function plots (via icon select) - expand thermochemistry database to max. 750 entries - mark dG und dH values = 0 with red text color - bugfix 'equation builder' (multiple calls) - batch files for bwcc.dll/bc450rtl.dll copy (folder Patches) - other little optimations and bugfixes Version: 1.20a: - bugfix calculation of variation coefficient - update of element data - cations in thermochemistry equation (e.g. Ba<2+>) - other little optimations and bugfixes Version: 1.20: - get x,y-coordinates with right mousekey - bugfix calculate function value works now - bugfix mixture solver - print calculation time for build of chemical equations - new RTF equation generation - other little optimations and bugfixes Version 1.19: - german and english LCS version are FREEWARE, now - german LCS version includes complete german handbook as TeX-DVI file - save data as HTML table - faster Ulich approximation - other little optimations and bugfixes Version 1.18: - graphical integration of f(x) - new fast Romberg integration - .MSW data files store information about the last data plot (text, size etc.) - normal distribution (probability P) - Bugfix: data plotter window had corrupted function parser (internal replacement of f(x) with f2(x)) - other little optimations and bugfixes Version 1.17d: - function plotter can plot 2 functions at the same time - new function/data dialogues - faster titrationcurve calculation - faster chemical mixture solver - faster data- and function plot - Bugfix corrects formula identifier - faster THC window and data input window scrolling - Bugfix corrects the plot of the kinetic graphs (A->B->C, A<=>B, A->B A->C) (This bug only exists in the english version 1.17) - new THC import routine - Bugfix corrects 'add bond energy' input - codesize und speed optimations - other little optimations and bugfixes Version 1.16 : - draw the first derivative f´(x) - numeric differentation of data set - integration with cubic splines (e.g. peaks) - new very fast cubic spline data plot - mouse zoom bugfix - t- and F-test bugfix - mixture rule-/cross allows 0% (water) - other little optimations and bugfixes Version 1.15 : - first english release of LCS Have a lot fun with LCS ! Jens Schulz