Laborant Chemstation for Windows (LCS)
(english version)

Version: 1.16  (27.01.1998)

FREEWARE (english version)
--------

Program author:
Jens Schulz
Rosenstraße 5
D-25368 Kiebitzreihe
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 and
Windows NT, too. You can use LCS on PowerMacs with the
RealPC emulator. LINUX-, Solaris- and other UNIX-user can use the
WABI 2.2 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_E116.EXE on your harddisc and start the program. LCS_E116.EXE is 
a self extracting file. It will create a folder in the current directory,
called LCS_ENGL. If you install it under Windows, please press the key F5
after the extraction. The F5 function will refresh the current directory
content.

Open the folder LCS_ENGL and click on the help file READ_ME.HLP for your
first steps.

The program LABORANT.EXE will start LCS.

Hints for LCS users:
--------------------

Windows 3.1 should create a program group for LCS. Please put the program
LABORANT.EXE and the help file README.HLP in this program group. Program
groups are created with the program manager of Windows 3.1.

Windows95/NT 4.0 user should create a link file of LCS. Link are created
by the selection of LABORANT.EXE and the right mouse button. Please move
this program link file of LABORANT.EXE on your desktop window. 

! Never move LABORANT.EXE direct on your desktop window, it will lose it
  internal program pathes !

After the extraction of LCS, you can delete the file LCS_E116.EXE from your
harddisc.

LCS is a very stable program. If your LCS is unstable, please read the
file BUGS.TXT for BWCC.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

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
- 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)
- 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 1.16 :  
- draw the first derivative f´(x)
- numeric differation 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

