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DryAdd -" Virtual Reactions" for Polymerization and Crosslinking
For polymer chemists who want to understand the effects of changing monomer composition and reaction rates on polymer architecture, DryAdd provides a new dimension to lab work and polymer characterization. Find out more about how DryAdd relates to specific characterization techniques here.
DryAdd models polymerization, by setting up a 'virtual reaction pot' which simulates a real system - for example a coating, adhesive, polyurethane, or polyester... DryAdd's new wizard-driven interface guides you step by step through setting up a new simulation.
Whether the system is cross-linked or not, DryAdd provides key insights to drive new product design, and to supplement your characterization studies.
- Complements your polymer characterization capability - gives detailed information on chemical architecture which is hard to determine any other way, for both crosslinked and linear systems
- Investigates the effects of changes in monomer composition and reactivity - to focus your best ideas before you go into the lab, so saving you time and expense
- Provides a framework for your knowledge base through development of a validated model that can be shared with colleagues
- Gives you a platform to support research problem solving and communication with co-workers and customers
DryAdd has been used by major multinationals to model the polymerization, crosslinking and cure processes in condensation polymerizations such as:
| polyurethanes | epoxies |
| phenolics | polyesters |
| siloxanes | urea and melamine formaldehydes |
How does DryAdd work?
DryAdd is based on a Monte-Carlo simulation, which gives it maximum flexibility in modeling both linear and crosslinked systems, in the latter case through both pre- and post-gel regions. Designed by chemists for chemists, its easy-to-use wizard-driven interface leads you in a logical manner through data input and simulation output.
First of all, set up your materials. Select from the extensive database supplied with DryAdd, or add your own materials, then specify how much of each you want to add (in grams or moles).
Then, set up the reactions. Either create these automatically using our supplied database (with literature values for reactivities), or set up your own in-house database to encapsulate the unique capabilities that give you your competitive edge. You also have the option of setting up your reaction scheme manually. DryAdd can allow for the production of reactive 'product sites', too, to allow for more complicated chemistries - for example, allophanate and biuret formation in polyurethanes. In addition, first order reactions, reverse reactions, and transesterifications are allowed in the Pro+ version.
Start the simulation, and stop when you wish, to examine results. You can start the reaction again, so that you can monitor key properties at various points during the simulation.
What does DryAdd tell you?
DryAdd gives information on the molecular structure as the polymer chains and any crosslinked network build up. DryAdd comes in two versions, so that you can select the functionality which meets your specific needs.
DryAdd-Pro
The Professional version, with a range of reaction schemes including bond formation, bond formation with creation of 1 product site, and bond creation with 2 product sites. (These sites can go on to react subsequently, if appropriate.) Analysis capabilities include:
- Sequence Analysis
- - to look for specific occurrences of monomer sequences - for example, in order to predict phase separation in polyurethanes
- Block Sequence Analysis
- - to look at the frequency of occurrence of blocks of various lengths, in linear polymers only.
- Network Analysis
- - a full graph-theoretic treatment which gives you information on the degree of crosslinking, crosslink density, average functionality of branch points - information which relates directly to mechanical properties, including modulus and Tg
- System Analysis
- - to report on branching in the whole reaction pot. This complements the Network Analysis.
- Formula Analysis
- - to determine how much of a material has specific chemical functionalities
- Fragment Analysis
- - to look at the architecture of the polymer fragments in detail
- MALDI Analysis
- - to assist with analysis of MALDI spectra
The analysis capabilities of the Professional version let you get at information on detailed chemical architecture which is difficult, and very expensive, to obtain in any other way.
DryAdd-Pro+
Adds in further reaction schemes to the Professional version, including transesterification and reversibility. First order reactions are also included, to enable most chemistries to be modeled. DryAdd-Pro+ also allows you to remove molecules from the reaction pot, to force the system from equilibrium. Consequently, DryAdd-Pro+ is ideal for polyester systems.
Hardware Requirements
An IBM-compatible PC running Windows 2000, XP or Vista.
View a PowerPoint demonstration for DryAdd
View some older Application Notes
(There are also specific pages for polyurethanes, epoxies, phenolics, and amino-formaldehydes.)
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Copyright © 2008 Intelligensys Ltd