A preliminary zeroth order analysis may be performed to answer fundamental questions about the nature of the unknown material. Methods that might be used for the preliminary analysis include spectroscopic methods, such as infrared spectroscopy or x-ray fluorescence spectroscopy. The results of the zeroth order characterization of the material inform subsequent choices in later stages of analysis.
A formulated chemical mixture may contain multiple phases, such as suspended or emulsified material. A first-order analysis of the material may involve the separation of phases. Centrifugation, extraction, and filtration are examples of methods which separate material in different phases. Centrifugation is effective to separate phases that differ in density. Extraction is effective to separate immiscible liquid phases. Filtration is effective to separate dispersed particles that are sufficiently large in size to be trapped in a filter. This initial separation may require the selection of appropriate solvents to either dissolve solid components or to act as a diluent for liquids. The quantitative determination of phases is often determined gravimetrically.
Once separated, each material phase is itself a chemical mixture to be further analyzed. A second-order analysis of each phase will typically involve a selection among available analytical methods to further separate these components. Analytical methods used on liquid phases might include distillation or one of a variety of chromatographic separation methods. Distillation separates the components of a liquid mixture according to differences in their boiling points. Chomatography separates components of a liquid or gaseous mixture according to differences in retention time as the mixture interacts with a stationary phase. Individual components thus separated can then be identified by a variety of detection methods, including infrared spectroscopy, Raman spectroscopy, mass spectrometry, and nuclear magnetic resonance spectrometry. Methods used to further analyze solids might include thermal analysis (such as thermogravimetric analysis or differential scanning calorimetry), x-ray diffraction to characterize crystalline solids, microscopy, pyrolysis, combustion analysis, or surface spectroscopic methods.
In some contexts further stages of analysis of the separated components may be required. The active ingredients of a formulated chemical product that differentiate it from another similar material may include proprietary ingredients or specific functional additives. Such ingredients that play a key role in the performance of the material in an application may require a third-order analysis to more completely characterize them. Some examples of functional additives include surfactants, emulsifiers, dispersants, adhesion promoters, leveling agents, dyes and pigments, antioxidants, preservatives, and optical brighteners. Practically every type of chemically formulated product is associated with its own formulary of likely functional additive choices that can fulfill some critical role in performance. Deformulation may thus require both a breakdown of material composition and also identification of the functional role of key ingredients.