Abstract: An array of a mixture of at least two components is formed and an experiment is conducted on the array to produce results. At least one Six Sigma technique is applied to the steps to improve results of the experiment.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing titanium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: In a method, factors are selected for an experiment and interactions among levels of the factors are estimated. A probability value of positive interactions is then assigned for each of the estimated interactions. A combinatorial high throughput screening (CHTS) method is effected on an experimental space representing the levels and the probabilities for each interaction are adjusted according to results of the CHTS method. A system for conducting an experiment includes a reactor for effecting a CHTS method on an experimental space to produce results and a programmed controller that stores an assigned probability value for estimated positive interactions between levels of factors of the experimental space and adjusts the probabilities for each interaction according to results of the CHTS method.

Abstract: A neural network construct is trained according to sets of input signals (descriptors) generated by conducting a first experiment. A genetic algorithm is applied to the construct to provide an optimized construct and a CHTS experiment is conducted on sets of factor levels proscribed by the optimized construct.

Abstract: An experimental space comprising levels of factors is designed according to an incomplete block design and an experimental space comprising levels of factors is designed by random selection. Separate combinatorial high throughput screening experiments are effected on each experimental space to produce sets of results and best results are selected from the sets. A system for conducting an experiment includes a reactor for effecting a combinatorial high throughput screening method on an experimental space to produce results and a programmed controller that defines an experimental space comprising levels of factors according to an incomplete block design and defines an experimental space comprising levels of factors by random selection.

Abstract: Computerized systems and methods for planning, preparing, tracking, and analyzing a plurality of chemical reactions including a planner for planning how much of each of a plurality of materials is to be delivered to each of a plurality of reaction vessels; a delivery device for delivering a predetermined amount of each of the plurality of materials to each of the plurality of reaction vessels; a reaction device for reacting the plurality of materials disposed within each of the plurality of reaction vessels; a measuring device for testing and measuring the reacted contents of each of the plurality of reaction vessels; and an analyzer for analyzing the reacted contents of each of the plurality of reaction vessels to determine the amount of at least one component present in the reacted contents and to determine the relative performance of the materials disposed within each of the plurality of reaction vessels.

Abstract: This invention relates to methods for testing elongation and cracking of coating arrays. The method includes simultaneously applying an elongating force to each of a plurality of coatings, and monitoring the coating integrity including cracks and thickness decrease in each coating. A relative performance characteristic of each coating is then determined based on a correlation between a detected crack and/or thickness decrease in the coating, and the corresponding elongating force.

Abstract: The present invention provides a method for quantifying structural defects of a coating composition on a given substrate, where certain structural defect-inducing tests are performed. In this method, a coating formulation is doped with a colorimetric or luminescent material. Concentration of the material depends on the quantum efficiency, excitation and emission wavelengths, and employed detection techniques, and can range from about 1 fM to about 1 mM. Before, during and/or after such tests, the coating is illuminated with a wavelength of radiation at which the reflected or transmitted color or emitted luminescence of the material in the coating is detectable with an optical detector or by visual inspection. In this fashion, the percentage of failure of the coating can be quantified as well as the level of interdiffusion of coating into substrate or substrate into coating. The method of the invention is thus particularly well-suited for the combinatorial analysis of an array of coating samples.

Abstract: A hybrid learning system is provided for searching an experimental space. A data mart is configured to acquire, store, and manipulate a set or meta-set of data including at least historical experimental data, descriptor data, and concurrent experimental data. A search engine is designed to use unsupervised learning techniques to select a set of evaluation points representing a corresponding set of experiments to be run, based on data from the data mart. A point evaluation mechanism provided with supervised learning modules which perform predictive processing based on the evaluation points selected by the search engine, and a scoring module performs a rating operation on outputs of the learning modules to rate the outputs of the learning modules from best to worst. The data mart search engine and point evaluation mechanism allow for a repetitive processing to refine an output of potential solutions without the requirement of continually running actual physical experiments.

Abstract: A reactor plate comprises a substrate with an array of reaction cells and a permeable film covering at least one of the cells to selectively permit transport of a reactant gas into the one cell while preventing transport of a reaction product out of the cell. A method comprises providing a reactor plate comprising a substrate with an array of reaction cells, at one least one cell of the array comprising a cavity and a permeable film cover and conducting a combinatorial high throughput screening (CHTS) method with the reactor plate.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing lead and a catalytic amount of an inorganic co-catalyst containing titanium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of a combination of inorganic co-catalysts containing manganese and nickel; manganese and iron; manganese and chromium; manganese and cerium; manganese and europium; manganese, cerium, and europium; manganese, iron, and europium; or manganese and thorium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various other inorganic co-catalyst combinations.

Abstract: A catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing bismuth. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing lead and a catalytic amount of an inorganic co-catalyst containing titanium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing titanium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing titanium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing lead and a catalytic amount of an inorganic co-catalyst containing titanium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing copper. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of an inorganic co-catalyst containing ytterbium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various inorganic co-catalyst combinations.

Abstract: A method and catalyst system for economically producing aromatic carbonates from aromatic hydroxy compounds. In one embodiment, the present invention provides a method of carbonylating aromatic hydroxy compounds by contacting at least one aromatic hydroxy compound with oxygen and carbon monoxide in the presence of a carbonylation catalyst system that includes a catalytic amount of a combination of inorganic co-catalysts containing manganese and nickel; manganese and iron; manganese and chromium; manganese and cerium; manganese and europium; manganese, cerium, and europium; manganese, iron, and europium; or manganese and thorium. In various alternative embodiments, the carbonylation catalyst system can include an effective amount of a palladium source and an effective amount of a halide composition. Further alternative embodiments can include catalytic amounts of various other inorganic co-catalyst combinations.