Borek Posted May 28, 2005 Posted May 28, 2005 Some of you are aware of the fact I have already prepared two chemical calculators (see signature). I am planning to extend the line of programs and I have several ideas about what could the next calculator do. However, before starting work I decided to do a quick poll: What type of calculations would you like to have automated? Which calculations are the most tedious? Which calculations are eating most of your time, regardless of the fact that you know how to do them? Best, Borek -- Chemical calculators at www.chembuddy.com pH calculation concentration calculator
Edward Posted May 29, 2005 Posted May 29, 2005 I would like to be able to plug in a chemical formula eg h2o and get various bits of info on it like molarity and such
Borek Posted May 29, 2005 Author Posted May 29, 2005 Could you elaborate? What do you mean by 'molarity of chemical formula'? What exact information do you want to get from chemical formula? Best, Borek -- Chemical calculators at www.chembuddy.com pH calculation concentration calculator
akcapr Posted May 29, 2005 Posted May 29, 2005 how bout one where u put in reactants, and if necessary the calculator will balance it and show the products.
budullewraagh Posted May 29, 2005 Posted May 29, 2005 that would take waaaay too long. you can buy such software for a few thousand dollars.
akcapr Posted May 29, 2005 Posted May 29, 2005 arg- it would be cool tho. if the whole forum helped it may be possible.
Borek Posted May 29, 2005 Author Posted May 29, 2005 How about typing up the merk index for us? No way. But I have already typed in density tables for over 300 reagents, check CASC pages. Best, Borek -- Chemical calculators at www.chembuddy.com pH calculation concentration calculator
Borek Posted May 29, 2005 Author Posted May 29, 2005 that would take waaaay too long. you can buy such software for a few thousand dollars. And it is not enough to put reagents in, as parameters like pressure, temperature or pH can change everything. I doubt such software will be ever able to predict all reactions. Best, Borek -- Chemical calculators at www.chembuddy.com pH calculation concentration calculator
H2SO4 Posted May 29, 2005 Posted May 29, 2005 Akcapr, i believe you wanted this: http://www.trimen.pl/witek/calculators/wspolczynniki.html
H2SO4 Posted June 2, 2005 Posted June 2, 2005 You have to know how to use it. I believe theres instructions.
Mendelejev Posted June 2, 2005 Posted June 2, 2005 lol, I don't think it's worth a few thousand dollars
Borek Posted June 2, 2005 Author Posted June 2, 2005 You pay k$ for the product prediction, not for balancing. Best, Borek -- Chemical calculators at www.chembuddy.com pH calculation concentration calculator
woelen Posted June 5, 2005 Posted June 5, 2005 how bout one where u put in reactants, and if necessary the calculator will balance it and show the products. Computing the products, given a set of reactants, is impossible with the current state of art of computers and the current precision at which the conditions can be modelled. The results frequently depend on the conditions as well. These computations require massive quantum mechanics computations over thousands or even millions of atoms in order to simulate a somewhat realistic macroscopic system. Balancing equations is another thing and is not that difficult. I've written a program in C, which does that for you, by computing an integer null-space of a certain matrix. The program gives all possible reactions, given a set of reactants and products. Look at http://81.207.88.128/science/chem/chemeq However, YOU are the one who must tell the program what are the reactants and the products. Shit in ==> shit out! The program just helps you with the tedious and error prone math.
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