Estimation of all parameters from nonisothermal kinetic data.
A method is described which estimates (using least-squares analysis) all parameters (kinetic parameters and also zero and infinite time assays) from nonisothermal kinetic data. This method overcomes the time delays required for infinite time assays and biased estimates caused by the use of those assay results. Flexible temperature and data collection programs can be used. The mathematical models account for thermal volume expansion and the appropriate model is selected by statistical tests (provided the reaction is studied over approximately 90% decomposition). The models use a reparameterized Arrhenius equation in which the frequency factor is replaced by ka, the rate constant at a specified temperature. This improves the numerical procedure and allows room temperature stability to be estimated directly.
D002626:Chemistry, Pharmaceutical; D004355:Drug Stability; D006868:Hydrolysis; D007700:Kinetics; D008956:Models, Chemical; D013053:Spectrophotometry; D013223:Statistics as Topic; D013696:Temperature; D013816:Thermodynamics; D013997:Time Factors