BIOVIA MATERIALS STUDIO BLENDSDATASHEETBIOVIA Materials Studio Blends is used to predict themiscibility behaviour of solvent and polymer systems and togive a good indication of the stability of these systems in bulk
manufacturing processes. This is a simulation technique which
predicts the thermodynamics of mixing from the chemical
structures ofbinary mixtures, producing phase diagrams
which identify regions of stability. BIOVIA Materials StudioBlends is a screeningtool which enables the development ofstable formulations, while reducing the need for laboratory
experimentation using ‘live’ chemicals.

BIOVIA MATERIALS STUDIOBLENDS APPLICATIONSFormulators will be most concerned with phase separation
which might either restrict the shelf life of their productor render it unusuable. Mixed solvent systems are used inmany fine chemicals processes such as for solvent extraction,
recrystallization and azeotropic separations. In these situations
it is often desirable to select solvents with lowest cost and easeof recycling while influencing a phase change to occur withina very specific temperature range. Once a process has been
implemented it is often very difficult to change the compositionof the mixture without considerable investment in time andplant modifications.

The miscibility of polymer and solvent systems is very
important in many polymer processingoperations such as forthe preparation of adhesives, pharmaceuticals, cosmetics, andspeciality surface coatings for metals, glasses, and plastics.
Generally this type of formulation work will require considerable
experimentation to develop the most cost effective formulations
with highest possible polymer to solvent ratios. Formulation
scientists will also be interested in developing stable baseformulations then for example testing the effects of coalescing
agents, pigmentation and dispersants, plus physical changes
such as freezethaw cycles.

Formulators of thermoplastics aim for optimal mechanicalproperties by blending pure polymers and additives

Mixed polymer systems are particularly important in the
preparation of composite materials for the transport andconstruction industry. Often the choice of polymer will bedetermined by balance of cost and mechanical properties of
the composite material. The formulator will be interested toimprove the compatibility of polymers with other materials
outside of their normal service temperature and humidity
range, e.g. for products for shipment to unusually hot orhumid climates. Poor formulations might have very restricted
geographical markets or shelf lives.

The chemicals industry uses a wide range of organic solvents for
its separation processes

THE BIOVIA MATERIALS STUDIO ADVANTAGE• Faster product development and shorter time to market for
new and improved formulations• Reduced risk of product failure due to phase separation or
ageing on storage and transportation• Possibilities for optimizing the use of expensive solvents infine chemical processes• Opportunity to investigate the stability of formulations
outside their ‘in service’ application range. Also a means tooptimize shelf life.

BIOVIA Materials Studio Blends is available through MS
Modeling, BIOVIA Material Studio’s modeling and simulation
suite, that runs as a Windows® client on your PC, and provides
a comprehensive range of software tools. Flexible client/server computing harnesses the power of a range of server
technologies, to access leading methods in computational
chemistry and materials science, delivering results direct toyour desktop.

FEATURES AND CAPABILITIES• A practitioners tool for technicians, engineers, andformulation chemists• Provides cost saving solutions for new product and processdevelopment• Uses office desktop IT equipment, reduces the need forexperimentation using ‘live’ chemicals in wet chemicallaboratories and polymer processing equipment• Versatile software package, applicable to many separate
chemical components for incorporation in binary mixtures• Fast turnaround several projects can be processed
simulataneously• Potential to use BIOVIA Materials Studio Blends alongsideprocess engineering software for simulation of physicalseparations such as for solvent extraction, or azeotropic
distillation• Library facilities for storing pairwise molecular interactions.

The introduction of BIOVIA Materials Studio Blends into theBIOVIA Materials Studio toolkit provides a specialist tool forthe engineer, polymer scientist, or formulator with a rapid,
easy-to-use approach to screening mixtures of polymers andsolvents for use in base formulations and process development
investigations.
To learn more about BIOVIA Materials Studio, go toaccelrys.com/materials-studioLaboratory formulation studies often require
extensive solubilty and compatability studies

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