Abstract: Rapid characterization and screening of polymer samples to determine average molecular weight, molecular weight distribution and other properties is disclosed. Rapid flow characterization systems and methods, including liquid chromatography and flow-injection analysis systems and methods are preferably employed. High throughput, automated sampling systems and methods, high-temperature characterization systems and methods, and rapid, indirect calibration compositions and methods are also disclosed. The described methods, systems, and devices have primary applications in combinatorial polymer research and in industrial process control.

Abstract: A method and apparatus for measuring properties of a liquid composition includes a mechanical resonator, such as a thickness shear mode resonator or a tuning fork resonator, connected to a measurement circuit. The measurement circuit provides a variable frequency input signal to the tuning fork, causing the mechanical resonator to oscillate. To test the properties of a liquid composition, the mechanical resonator is placed inside a sample well containing a small amount of the liquid. The input signal is then sent to the mechanical resonator and swept over a selected frequency range, preferably less than 1 MHz to prevent the liquid being tested from exhibiting gel-like characteristics and causing false readings. The mechanical resonator's response over the frequency range depends on various characteristics of the liquid being tested, such as the temperature, viscosity, and other physical properties.

Abstract: Computer programs and computer-implemented methods for monitoring the progress and properties of parallel chemical reactions. The invention repeatedly receives a measured value or values associated with the contents of each of a plurality of reactor vessels and displays the measured over the course of a combinatorial chemical reaction. Reaction parameters associated with individual reactor vessels are changed in response to the value measured during the reaction. Reaction parameters include temperature, pressure, stirring speed. The reaction occurring in one or more reactor vessels is quenched in response to values measured during the reaction. The measured values are used to calculate experimental results including temperature change, pressure change, percent conversion of starting material, and viscosity. The measured values and experimental results are displayed. In another aspect, the invention features a method for controlling a combinatorial chemical reactor.

Abstract: New ligands, compositions, metal-ligand complexes and arrays with pyridyl-amine ligands are disclosed that catalyze the polymerization of monomers into polymers. Certain of these catalysts with hafnium metal centers have high performance characteristics, including higher comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, isobutylene or styrene. Certain of the catalysts are particularly effective at polymerizing propylene to high molecular weight isotactic polypropylene in a solution process at a variety of polymerization conditions.

Abstract: The present invention relates to a parallel rheometer and improved force sensor elements, which may advantageously be used in combination with the parallel rheometer. The parallel rheometer of the present invention allows simultaneous measurements of a plurality of samples so as to allow characterization of a plurality of samples within a short time period. The force sensor element according to the present invention allows simultaneous measurement of a shear force and a normal force applied to the sensor element. Moreover, the force sensor may employ stress-optic material.

Abstract: A method and apparatus for reacting a plurality of different mixtures in parallel in a semi-batch or continuous mode is provided. Each reaction is contained within a reactor vessel, the reactor vessels combined into a reactor block. Reactant(s) to be added during the reaction are kept in a header barrel, which has a plunger to feed reactant(s) from the header barrel through a transfer line into the reactor vessel. The plunger is moved using a drive system. The header barrels are optionally combined in a header block. The header block is sealed to a plate containing the transfer lines, which in turn is sealed to the reactor block. A latch mechanism is provided for easy sealing of the reactor and header blocks to the plate. The entire apparatus may be placed on a rocker or rotating plate for mixture as the reaction is proceeding.

Abstract: An apparatus for parallel processing of reaction mixtures, including a reactor block including reaction chambers for containing reaction mixtures under pressure, the reactor block further including a first sidewall, a second sidewall, and a first plurality of fluid flow paths providing fluid communication with the first sidewall and respective reaction chambers and the second sidewall and respective reaction chambers; a stirring system including a base plate defining a second plurality of flow paths, wherein respective flow paths of said second plurality of flow paths are in fluid communication with respective reaction chambers and respective fluid flow paths of said first plurality of flow paths, and the base plate also supports a plurality of stirring blade assemblies for mixing the reaction mixtures; interchangeable manifolds supported by the first sidewall and the second sidewall, the interchangeable manifolds defining a plurality of manifold inlet/outlet ports, wherein respective inlet/outlet ports of sa

Abstract: Control agents that have a nitrogen-nitrogen bond covalently bonded to a thiocarbonyl moiety are provided for living-type free radical polymerization of a wide variety of monomers. These control agents provide superior properties for control of the polymerization and/or the properties of the polymers obtained and/or the monomers that may be polymerized. In some embodiments, a bulky group is pendant off the activated thiocarbonyl portion of the control agents. Multifunctional control agents provide the opportunity for a variety of structurally unique polymers, including block copolymers, stars and hyper-branched polymers.

Abstract: A combinatorial chemistry reactor system for the parallel processing of reaction mixtures. The system comprises a frame, a head mounted in fixed position on the frame, and a reactor block having a plurality of wells therein for containing reaction mixtures. The reactor block is movable with respect to the head between a first position in which the reactor block and head are assembled for conducting reactions in the wells and a second position in which the reactor block is removed from the head for providing access to the vessels. Gaps in the reactor block between the wells serve to thermally isolate the wells from one another. Other features relating to pressure relief, reactor block temperature control, and sensor mounting are also disclosed.

Abstract: A sensor-array based materials characterization apparatus for characterizing one or more material properties of at least five test samples, wherein the apparatus includes a sensor array disposed on a substrate; electronic test circuitry for sending electrical signals to and receiving electrical signals from the sensor array; electronic circuitry for routing signals between selected sensors and the electronic test circuitry; and a computer or processor electrically coupled to electronic test circuitry and electronic circuitry.

Abstract: A method is disclosed for characterizing a plurality of non-biological polymer samples. The method includes the steps of injecting four or more non-biological polymer samples into a mobile-phase of a liquid chromatography system, chromatographically separating at least one sample component or polymer molecule of each of the four or more injected polymer samples from other sample components or polymer molecules thereof in a chromatographic column, and serially detecting a property of the four or more non-biological polymer samples or of components or polymer molecules thereof with a flow-through detector at an average sample throughput of not more than about 10 minutes per sample.

Abstract: Controlled stable free radical emulsion polymerization processes employ nitroxide control agents having an alpha carbon atom bearing a destabilizing substituent such as hydrogen. The emulsion polymerizations have living characteristics, including the re-initiation of polymer chains, and provide a high degree of control over molecular weight, particle size, polydispersity and polymer composition and architecture. The processes are useful for the preparation of polymer emulsions, including block copolymers, star and graft copolymers, telechelics and macromonomers from a wide range of monomers.

Abstract: An apparatus and method for carrying out and monitoring the progress and properties of multiple reactions is disclosed. The method and apparatus are especially useful for synthesizing, screening, and characterizing combinatorial libraries, but also offer significant advantages over conventional experimental reactors as well. The apparatus generally includes multiple vessels for containing reaction mixtures, and systems for controlling the stirring rate and temperature of individual reaction mixtures or groups of reaction mixtures. In addition, the apparatus may include provisions for independently controlling pressure in each vessel. In situ monitoring of individual reaction mixtures provides feedback for process controllers, and also provides data for determining reaction rates, product yields, and various properties of the reaction products, including viscosity and molecular weight.

Abstract: Methods and apparatus are provided for the preparation of a substrate having an array of diverse materials, the materials being deposited at spatially addressable, predefined regions. In particular, potential masking systems are provided which generate spatially and temporally varying electric, magnetic and chemical potentials across a substrate. These varying potentials are used to deposit components of source materials onto a substrate in a combinatorial fashion, thus creating arrays of materials that differ slightly in chemical composition, concentration, stoichiometry, and/or thickness. The diverse materials may be organized in discrete arrays, or they may vary continuously over the surface of the substrate. The shape of the potential allows the determination of the composition of the resulting materials at all locations on the substrate.

Abstract: An apparatus and method for measuring viscosity or related properties of fluid samples in parallel is disclosed. The apparatus includes a plurality of tubes and reservoirs in fluid communication with the tubes. The tubes provide flow paths for the fluid samples, which are initially contained within the reservoirs. The apparatus also includes a mechanism for filling the reservoirs with the fluid samples, and a device for determining volumetric flow rates of fluid samples flowing from the reservoirs through the plurality of tubes simultaneously. The disclosed apparatus is capable of measuring viscosity or related properties of at least five fluid samples simultaneously. Useful reservoirs and tubes include syringes.

Abstract: A method is disclosed for characterizing non-biological polymers using liquid chromatography that is particularly useful in polymer research programs. The method includes the steps of providing a library of four or more non-biological polymer samples, with each of the four or more polymer samples being polymerization product mixtures that result from polymerization reactions that are varied with respect to a factor affecting polymerization. Each of the four or more polymer samples resides in the reaction vessel in which they were formed.

Abstract: A multiplexed capillary electrophoresis system and process including a bundle of capillary tubes, a power source, a light source, a processor and an array of photodetector elements. Each element of the array generates a pixel signal corresponding to the light passing through the bundle of capillary tubes during the multiplexed capillary electrophoresis process. An A/D converter converts each of the pixel elements signals into a digital value corresponding to the light received by one of the photodetector elements. For each peak digital value, the processor selects five digital values corresponding to the light received by five contiguous photodetector elements and generates output signals. Each output signal corresponds to the light passing through the bundle of capillary tubes and is a function of the selected digital values. As a result, noise and drifts of the pixel signals are minimized.

Abstract: New ligands, compositions, metal-ligand complexes and arrays with pyridyl-amine ligands are disclosed that catalyze the polymerization of monomers into polymers. Certain of these catalysts with hafnium metal centers have high performance characteristics, including higher comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, isobutylene or styrene. Certain of the catalysts are particularly effective at polymerizing propylene to high molecular weight isotactic polypropylene in a solution process at a variety of polymerization conditions.

Abstract: New ligands, compositions, metal-ligand complexes and arrays with pyridyl-amine ligands are disclosed that catalyze the polymerization of monomers into polymers. Certain of these catalysts with hafnium metal centers have high performance characteristics, including higher comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, isobutylene or styrene. Certain of the catalysts are particularly effective at polymerizing propylene to high molecular weight isotactic polypropylene in a solution process at a variety of polymerization conditions.

Abstract: A new ligands that include a benzene ring in the backbone can be combined with a metal or metal precursor compound or formed into a metal-ligand complex catalyze a number of different chemical transformations, including olefin polymerization reactions. The ligands, complexes formed with the ligands and compositions including the ligands are useful catalysts, depending on the reaction.