Header for print stylesheet
You are here:  

X-Ray Diffraction (XRD): expertise description

X-ray diffraction is one of the most powerful techniques to study and characterise the three dimensional structure of solids. Moreover, X-ray diffraction may be used to measure sizes of rnacrornolecules or conglornerates (of molecules) in solution.

Techniques

The majority of the problems described before, can be solved using techniques availabie at DSM Research. In special cases Oike real-time measurements) the X-ray group uses out-door equipment Oike synchrotron facilities) or (like single-crystal structure determination) will hire external experts.

Applications and products

Solids may be subdivided into 5 groups: crystalline, poly- crystalline, micro-crystalline, liquid- crystalline, semi-crystalline and amorphous. The atomic or molecular arrangement in crystals is extremely regular in 3 dimensions due to translational symmetry. With X-ray diffraction the fuil symmetry and the crystal lattice can be determined. Moreover, the positions of all atoms in a crystal can be deterrnined, leading to a detailed deseription of the molecular architecture and the molecular packing.

In poly- and micro-crystalline solids the atomic or molecular arrangement is of (nearly) similar quality as stated above. In this case X-ray diffraction is frequentiy used to identify the crystalline component(s) - even in complicated mixtures - and to quantify the lattice imperfections or crystallite sizes. In mixtures of crystalline components, quantitative analysis of components is possibie through several methods. The type of method is problem dependent.

At DSM Research this type of analysis is availabie under various conditions: temperature (from -100"C to 1000"C), reduced atmospheric pressure and several types of gases. This allows one to study phase transitions, solid state reactions, therrnal stability etc.

In liquid- and semi-crystalline solids, the atomie or molecular arrangement is - on the average - less regular than in the cases stated above.

A liquid-crystalline solid is a one phase system in which strot translational symmetry may hold in 1 or 2 directions, while in the remaining directions disorder occurs. The disorder may be of directional or positional type. X-ray diffraction (in combination with optical microscopy) defines the character (and lattice) of the liquid crystalline phase.

A serni-crystalline solid (mostiy a polymer) is at least a two-phase system. lt contains an amorphous phase and a crystalline phase. The crystalline phase can be macro-crystalline (quality equal to poly- crystalline), micro-crystalline or para-crystalline (identical to liquid-crystalline). X-ray diffraction can determine the crystallinity, crystallite sizes, long range order of crystallites etc.

In a stress field solids (but also glasses and highiyviscous liquids) may orient. With X-ray diffraction the orientation of all components in a solid can be detected and quantified. This is irrespective of the type of the component (crystalline, amorphous) and the nature of orientation (uniaxial or biaxiao. For a crystalline phase a complete description of the orientation factors (P2, P4 and higher) may be obtained for several lattice directions. For the amorphous or glassy phase generally only P2 can be determined.

Due to external stress also lattice strain can ocurr. Lattice strain can be measured by rneans of X-ray diffraction.

In solutions (emuisions, colloids) particie sizes in the range of 1 to 1000 nm can be determined by means of X-ray diffraction.

The Resolve-XRD department has chosen for XRD diffractometers of Bruker-AXS.


footer for print stylesheet