CHEMICAL EQUILIBRIUM SOFTWARE DEVELOPMENT

A WIDE RANGE OF INDIVIDUALS IN HEALTH-RELATED PROFESSIONS (E.G., PHARMACEUTICS, MEDICINE, BIOLOGY, AND MEDICAL RESEARCH) FREQUENTLY HAVE A NEED TO PREPARE STANDARD AQUEOUSSOLUTIONS OF VARIOUS BUFFERS, POSSIBLY IN THE PRESENCE OF METAL IONS, OR TO CALCULATE CERTAIN SOLUTION PARAMETERS FROMOTHER KNOWN QUANTITIES. THESE CALCULATIONS ARE OFTEN ROUGH APPROXIMATIONS. A COMPLETE MODEL OF EVEN RELATIVELY SIMPLE AQUEOUS BUFFER SOLUTIONS MAY REQUIRE THE USE OF COMPLICATED ITERATIVE NUMERICAL TECHNIQUES IN ORDER TO SIMULTANEOUSLY SOLVE DISSOCIATION EQUILIBRIA, COMPLEX FORMATION EQUILIBRIA, AND EQUILIBRIUM WITH A SOLID PHASE. CONCURRENTLY, APPROPRIATE ACTIVITY COEFFICIENTS MUST BE DETERMINED. THE LONG-TERM OBJECTIVE OF THIS PROJECT IS TO DEVELOP COMPREHENSIVE SOFTWARE TOOLS THAT WILL ENABLE RESEARCHERS INHEALTH, SCIENCE, AND OTHER FIELDS TO FORMULATE AND EVALUATE COMPLICATED SOLUTION EQUILIBRIUM MODELS IN A TIMELY AND PRECISE MANNER. THE SOFTWARE PACKAGE TO BE DEVELOPED WILL ALLOW USERS TO SPECIFY SOLUTION PROPERTIES SUCH AS PH, BUFFER CAPACITY, ETC.; THE SOFTWARE WILL THEN SEARCH A DATABASE FOR THE APPROPRIATE SOLUTION REACTIONS AND EQUILIBRIUM CONSTANTS AND CALCULATE SPECIFIED OUTPUT.