Abstract: The presently disclosed subject matter relates to methods of predicting or measuring the reduction/oxidation (redox) reaction-related reactivity of a metal complex, particularly with respect to the ability of the metal complex to catalyze or inhibit the generation of reactive oxygen species (ROS) in vivo. The presently disclosed subject matter further relates to methods of screening and/or developing drug candidates that can mediate metal complex-catalyzed ROS generation. More particularly, the presently disclosed methods involve the use of probes having NMR active nuclei that can interact with paramagnetic metals in ways that can be easily detected by nuclear magnetic resonance (NMR) spectroscopy.

Abstract: This invention relates to a method and apparatus for controlling the temperature of combustion gases entering a pollution reduction process when such a process is applied to a steam generator burning fossil fuel having at least one heat exchanger. Improved operation of the pollution reduction process is achieved by controlling the temperature of combustion gases entering such a process through changes in the working fluid being heated by the combustion gases. This invention is applicable to all pollution reduction processes as associated with the combustion of fossil fuels, said processes being sensitive to the temperature of the combustion gases, said processes typically include NOX reduction processes, SOX reduction processes, and any pollution reduction process which employs a catalysis.

Abstract: The present invention relates to a method of testing catalysts and catalyst systems via a plurality of stations in which each station can accommodate a common reactor module in order to accomplish unattended, automated, rapid serial experimentation.

Abstract: The catalytic efficiency of supported catalysts containing metal nanoparticles is strongly related to the chemical softness at the surfaces of such nanoparticles. The chemical softness of a nanoparticle is obtained using results from Density Functional Theory modeling, an extended version of Embedded Atom Method modeling, and continuum modeling based on size and shape of the nanoparticle. A metal nanoparticle of a certain size and shape is first modeled using the extended EAM and EAM parameters that have been validated with results from DFT modeling, to obtain atomic energy densities at each atom location. The chemical softness value at each atom location is then calculated from the atomic energy densities and various parameters that are derived based on results from DFT modeling. The surface chemical softness value is derived from the local chemical softness values based on the geometry and atomistic structure of the metal nanoparticle.

Abstract: In a method of selecting polymerization catalysts, in particular Phillips catalysts for the polymerization of olefins, from a multiplicity of catalysts on the basis of their catalytic properties, a multiplicity of catalyst precursors or catalyst supports are converted in parallel into polymerization catalysts in a pretreatment step in an array of reactors, where the pretreatment comprises at least one thermal treatment step at from 250 to 1200° C. Furthermore, at least one starting material is converted with the aid of the respective polymerization catalysts under prescribed polymerization conditions into at least one polymer product in a polymerization step and, finally, analysis of the polymer product or products is carried out to determine its composition and/or chosen properties. This makes it possible to carry out a thermal pretreatment of polymerization catalysts quickly under defined conditions which can be varied.

Abstract: The present teachings are directed toward methods of determining the lifetime of a catalyst for producing carbon nanotubes. The methods include providing different isotopically-labeled reaction components, primarily hydrocarbon sources containing different carbon isotopes, to the catalyst and measuring the Raman spectra of the carbon nanotubes produced with the different hydrocarbon sources.

Abstract: Disclosed herein is a method for determining the presence of an activated catalyst site in a catalyst system comprising a catalyst precursor and an activator, wherein the catalyst system is capable of providing a luminescence, the method comprising: performing a time resolved luminescence analysis on a reference analyte comprising the catalyst precursor that is not in combination with the activator, and performing a time resolved luminescence analysis on a sample analyte comprising the catalyst precursor in combination with the activator, determining a reference emission energy and a reference lifetime each associated with a maximum emission intensity in the reference output values; determining a sample emission energy and a sample lifetime each associated with a maximum emission intensity in the sample output values; and comparing the values to determine if the sample comprises an activated catalyst site. Use of the above method in relation to an activation index is also disclosed.

Abstract: A process is described in which an elastic fluid is contacted with a particulate solid. This comprises providing a substantially vertical elongate tubular containment zone (1) containing a charge of the particulate solid (5), the volume of the containment zone (1) being greater than the settled volume of the particulate solid (5). An upper retainer means (3) is mounted at the upper end of the containment zone (1), the upper retainer means (3) being permeable to the fluid but adapted to retain particulate solid (5) in the containment zone (1). A follower means (4) is movably mounted in the containment zone (1) beneath the charge of particulate solid (5) for movement upwardly from the lower end of the containment zone (1) upon upward flow of elastic fluid through the containment zone (1) at a rate beyond a threshold rate.

Abstract: The present invention pertains to A cyclic process for testing FCC catalysts with resid feedstock on a small scale wherein in a first cycle: a) the feed to be cracked is heated to a temperature between 50 and 500° C., b) the heated feed is injected into a riser reactor containing the FCC catalyst to be tested having a temperature between 500 and 800° C., the injection time being less than 2 seconds, c) an inert gas is injected into the lower end of said reactor riser together in the vicinity of the feed injection in a volume ratio of inert gas to vaporized feed of about 0.03 and 10, the mixing of feed and inert gas occurring in said riser reactor; d) the feed is contacted with the FCC catalyst under fluidized conditions for a contact time of less than 8 seconds; e) the feed is stripped from the FCC catalyst and the properties of the product are analyzed; and in a second cycle a quench liquid is injected into said riser reactor in an amount of up to about 20 wt.

Abstract: Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc.

Abstract: An apparatus and process are described in which a plurality of preloaded catalyst samples tubes can be serially and automatically moved from a support to a reaction zone where each catalyst sample can be heated and a preheated reagent feed contacted with the sample and the effluent fed to a product collection and analysis system.

Abstract: The invention provides a system for designing, operating, monitoring and/or diagnosing a chemical reaction, particularly a hydrotreating process, using a fixed bed catalytic reactor.

Abstract: A catalytic testing device comprising a reaction block comprising a set of reaction chambers, each chamber comprising a fluid inlet and outlet connected to an outgoing fluid duct connected to analysis means, fluid feed means capable of performing regulated dosing of flows of the fluid at the required pressure independently in each of the reaction chambers, automatic and dynamic pressure control means, capable of performing pressure regulation in each reaction chamber, which comprise a non-return valve in the outgoing fluid duct between the outlets of the reaction chambers and a common regulating tank that receives the outgoing fluid from the chambers, a pressure sensor provided in a first outlet duct and an automatic needle valve provided in a second outlet duct from the tank.

Abstract: According to an apparatus and method for determining degradation of a reforming catalyst degradation which reforms a mixture of air and fuel, in a reformer that supplies a reformate gas to an engine of a vehicle, a temperature sensor detects a temperature of a reforming reaction portion in which is provided a reforming catalyst. An ECU then determines the extent of degradation of the reforming catalyst based on the temperature detected by the temperature sensor.

Abstract: A reactor for testing catalyst systems which has a plurality of catalyst tubes (2) which are arranged parallel to one another in the interior space of the reactor and whose ends are welded into tube plates and also has caps (3) at each end of the reactor which each bound a cap space (4), with a fluid reaction medium (5) being fed via one cap space (4) into the catalyst tubes (2), flowing through the catalyst tubes (2) and being discharged via the other cap space (4), and is also provided with a heat exchange medium circuit in which the heat exchange medium (6) is fed in at one end of the reactor, flows through the intermediate space between the catalyst tubes (2) and flows out at the other end of the reactor, wherein the catalyst tubes (2) are arranged in two or more catalyst tube regions (7) which are thermally separate from one another, is proposed.

Abstract: A test unit for the study of catalysts in short contact time reactions between a catalyst and at least one reagent, with a down transported flow reactor (4), with a load inlet (13, 13a, 13b) and a discharge outlet (14) linked with an admission inlet (15) to an upper chamber (39) of a separator (5) internally divided into an upper chamber (39) and a lower chamber (41) by a porous element (40) that is permeable to gases and impermeable to solid particles of catalyst, and a first preheater (1) provided with an outlet (2, 2a) connected with the inlet (13, 13a, 13b) of the reactor (4) via a load duct (42) in such a way that arranged between the outlet (2, 2a) and the load inlet (13, 13a, 13b) are some obturator means (3, 3a) in which the catalyst is heated to a desired temperature before they are loaded into the reactor (4).

Abstract: A process and apparatus for testing material libraries, in particular catalysts, by means of coupled use of at least two analytical methods, preferably IR thermography and mass spectrometry. Owing to the selected arrangement, the disadvantages of the two previously known individual methods are compensated for: the subsequent selectivity determination for selected sections by means of mass spectrometry invalidates the argument against IR thermography, of only being able to determine activities; the rapid integrated determination of potentially “good” materials via IR thermography prevents an excessive loss of time by needing to test all materials of a library successively with the mass spectrometer.

Abstract: A method of predicting the catalytic performance of a multi-site catalyst comprising reducing a control catalyst of known catalytic performance as a function of temperature, quantifying the different catalyst sites in the control catalyst to determine a ratio of desirable catalyst sites to undesirable catalyst sites, reducing a sample catalyst of unknown catalytic performance as a function of temperature, quantifying the different catalyst sites in the sample catalyst to determine a ratio of desirable catalyst sites to undesirable catalyst sites, and comparing the ratio desirable catalyst sites to undesirable catalyst sites in the control catalyst to the ratio of desirable catalyst sites to undesirable catalyst sites in the sample catalyst.

Abstract: This invention provides a method of evaluating the catalytic activity of a rare earth alkoxide used as a starting material of a basic catalyst or an asymmetric synthesis catalyst. The rare earth alkoxide used as the subject of evaluation and 2,2?-dihydroxy-1, 1?-binaphthol are used as the starting material to prepare a rare earth complex catalyst which is then used to conduct the asymmetric epoxidation of an enone. The epoxy enone formed by this reaction, the unreacted enone, and the enantiomeric excess are measured, and from these results, the catalytic activity of the rare earth alkoxide is evaluated.

Abstract: A process vessel containing both an evaporation zone for evaporating a liquid feed and a treatment zone for treating the resulting vapor comprises an injector having an orifice, the orifice being in the evaporation zone, at least one evaporation surface for evaporating feed and generating vapor, the evaporation surface being located in the evaporation zone, wherein the injector orifice and the evaporation surface are positioned to prevent the formation of a drop at the orifice, a treatment zone for treating the vapor and at least one heater associated with at least a portion of the process vessel.

Abstract: The present invention relates to a method of testing catalysts and catalyst systems via a plurality of stations in which each station can accommodate a common reactor module in order to accomplish unattended, automated, rapid serial experimentation.

Abstract: Diesel exhaust treatment articles, systems and methods are disclosed. According to one or more embodiments, an oxygen storage component is utilized and degradation of the oxygen storage component is correlated with degradation of the hydrocarbon conversion efficiency of a catalyst in a diesel engine system.

Abstract: An improved reaction tube having an interior configured for bifurcated chambers. The present device has an inert chamber and a catalyst chamber where the materials contained therein are decoupled from one another. This improved tube is especially beneficial as it provides for greater working efficiency, preservation of catalytic materials, straightforward maintenance and replacement procedures, and effective isolation of unwanted particles.

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, and a system for injecting liquids into the vessels at a pressure different than ambient pressure. 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: A process for simultaneously testing a plurality of catalysts using combinatorial chemistry has been developed. The process involves containing the plurality of catalysts in an array of parallel reactors with each reactor containing a bed of catalyst. Each bed of catalyst is then simultaneously contacted, at reaction conditions, with a reactant to form an effluent of each reactor. The reactant or an inert fluid is at a space velocity sufficient to fluidize the catalyst beds. Each of the effluents is analyzed.

Abstract: A process and an assembly for simultaneously evaluating a plurality of catalysts is provided wherein the flow rate of a reactive fluid to each of a plurality of reactors is automatically adjusted based on the measured amount of catalyst sample in each reactor to concurrently obtain a substantially identical fluid space velocity in each of the reactors.

Abstract: A multi-directional input key is capable of plural inputs through multi-directional operation, wherein the plural inputs are realized by a novel multi-directional operation, instead of the conventional operation in which force is applied to the operation surface so as to push it in deeply. There is provided a central key top equipped with an upper key top protruding from an insertion hole of an outer-ring key top and a lower key top having a pushing member protruding downwardly therefrom. This central key top is supported on a key sheet so as to be slidable in the direction of the hole inner surface of the insertion hole. And, when the central key top is caused to slide, an upper contact and a lower contact of a membrane switch are brought into contact with each other to effect input under the pressure from the pushing member.

Abstract: An apparatus and a method for rapidly generating a plurality of isolated effluents have been developed. A specific embodiment involves screening a plurality of solids through simultaneously contacting the members of the plurality with a fluid, sampling the resulting fluids, and processing the resulting fluids to, for example, determine changes as compared to the feed fluid or as compared to other resulting fluids.

Abstract: The present invention discloses an apparatus and method for rapid analysis of members of a combinatorial library. The apparatus includes a plurality of vessels for containing individual library members and a fluid handling system that apportions a test fluid about equally between each of the vessels. This allows for simultaneous screening of library members by detecting changes in test fluid following contact with individual library members. Fluid flow through each of the vessels is controlled using passive flow restrictors or active flow controllers to ensure that each library member contacts approximately the same amount of test fluid per unit time. The disclosed apparatus is especially useful for screening library members based on their ability to catalyze the conversion of fluid reactants.

Abstract: A process and apparatus for rapidly screening materials using, for example, mass spectrometry has been developed. More specifically, an array of materials on a fluid permeable support contained within a reaction cell having a semipermeable membrane can be rapidly screened for characteristics such as catalytic activity, selectivity, and adsorption and desorption properties.

Abstract: The present invention describes a method for determining reactor continuity of a polymerization reactor by non-linear dynamics. Specifically, the invention relates to a method of analyzing system variables to indicate gas phase reactor continuity in real-time and controlling the reactor continuity to maintain operability.

Abstract: The present invention relates to an arrangement, in particular for the parallel testing of a plurality of building blocks of a material library for performance characteristics, in which the arrangement has a block containing at least one reaction module and at least two heating/cooling modules.

Abstract: An upstream side catalyst and a downstream side catalyst are disposed in an exhaust passage. A first oxygen sensor is disposed between these two catalysts and a second oxygen sensor is disposed downstream of the downstream side catalyst. The air-fuel ratio is forcibly oscillated and the oxygen storage capacity of the upstream side catalyst is detected. Deterioration of the upstream side catalyst is then detected based on whether this oxygen storage capacity is larger than a predetermined value. The forced oscillation of the air-fuel ratio is performed only when the oxygen storage state of the downstream side catalyst is appropriate.

Abstract: A combinatorial method for discovering or optimizing materials is disclosed. The method uses solution-based components that are mixed and dispensed into regions on a substrate for drying and/or heat-treating. The drying and/or heat-treating produces materials that can be tested for a desired property.

Abstract: A system is provided wherein a devolatilizing reactor is used to make combinatorial libraries of materials. Examples of suitable reactors include continuous high viscosity devolatilizers and continuous devolatilizing kneaders.

Abstract: Parallel flow reaction systems comprising four or more reaction channels are disclosed. Distribution systems, and parallel flow reaction systems comprising such distribution systems are also disclosed. Specifically, the distribution systems comprise one or more subsystems, including for example, a flow-partitioning subsystem for providing a different flow rate to each of the four or more reactors, a pressure-partitioning subsystem for providing a different reaction pressure in the reaction cavity of each of the four or more reactors, and a feed-composition subsystem for providing a different feed composition to each of the four or more reactors. In preferred embodiments, the one or more subsystems can comprise at least one set of four or more flow restrictors, each of the four or more flow restrictors having a flow resistance that varies relative to other flow restrictors in the set.

Abstract: An apparatus and a method for rapidly generating a plurality of isolated effluents have been developed. A specific embodiment involves screening a plurality of solids through simultaneously contacting the members of the plurality with a fluid, sampling the resulting fluids, and processing the resulting fluids to, for example, determine changes as compared to the feed fluid or as compared to other resulting fluids.

Abstract: The subject invention detects the presence of an ozone reducing coating on an automotive radiator of the type having spaced fins presenting electromagnetic surface properties different than the electromagnetic surface properties of the coating. In accordance with the subject invention light rays are emitted or reflected off the coating on the fins to a detector and a comparator compares these light rays to a predetermined benchmark to provide a signal in response to the detected light rays crossing the benchmark. In a species, a second detector is employed to detect rays from an un-coated section to establish the benchmark.

Abstract: An apparatus and a method for rapidly generating a plurality of isolated effluents have been developed. A specific embodiment involves screening a plurality of solids through simultaneously contacting the members of the plurality with a fluid, simultaneously sampling the resulting fluids, and processing the resulting fluids to, for example, determine changes as compared to the feed fluid or as compared to other resulting fluids.

Abstract: Parallel flow chemical processing systems, such as parallel flow chemical reaction systems are disclosed. These systems are adapted to simultaneously and independently vary temperature between separate flow channels, preferably by employing separate, individual heating elements in thermal communication with each of four or more parallel flow reactors. The flow reactors are preferably isolated from each other using a thermal isolation system comprising fluid-based heat exchange. In preferred embodiments, the axial heat flux can be fixedly or controllably varied.

Abstract: The present invention relates to conducting a plurality of chemical reactions in a system including an apparatus which provides energy for the chemical reactions, such as chemical reactions in organic synthesis, where a particular advantage is the use of predetermined reaction parameters corresponding to similar chemical reactions. The present invention also relates to a system for performing said method and to corresponding kits and software. The system comprises an apparatus which can provide energy for the chemical reactions, said apparatus comprising a reaction cavity and a liquid handler, and a parameter selecting unit having a user interface means, a search unit means, apparatus control unit means, and storage means for carrying a database.

Abstract: A portable, inexpensive, and easy to operate vehicle oxygen sensor analyzer shows, in real time, on an ultra-bright LED display, the dynamic operation of the oxygen sensor, simulates sensor signals into the computer, while monitoring the oxygen sensor to confirm correct computer operation, and performs a quick, simple and accurate test on the oxygen sensor to prove that it will pass emissions tests for oxygen sensors of the type typically required under emissions control regulations.

Abstract: A method is disclosed for screening potential catalysts for polymerization performance. The method includes the steps of reacting a potential catalyst with at least a first monomer under polymerization conditions, determining the polymerization performance of the catalyst with the at least first monomer, and using the determination as a predictor for the polymerization performance of the catalyst for at least a second monomer, wherein the first and second monomers are different from each other and the first monomer is an olefin other than ethylene. The method provides a useful, concrete and tangible result that has particular value for identifying appropriate catalysts for olefin polymerization and copolymerization.

Abstract: Modular device and method for carrying out experiments in parallel on process substances to develop technical methods, comprising at least a multiplicity of individual reactors which are controllable independently of one another said reactors being comprised of pressure-tight chambers having separable sample vessels, and optionally, stirring devices, heating instruments, cooling instruments, or both, a monitoring unit for monitoring or controlling at least the pressure and the temperature in the individual reactors, pressure-tight lids having independent feed lines and optionally independent discharge lines for individual process substances; a plurality of the lids being simultaneously sealable upon the rectors by a common sealing means (11).

Abstract: A method for sampling reaction products includes delivering a reactant through a sampling probe to contact a substance deposited on a substrate and reacting the reactant to form a reaction product. At least a portion of the reaction product is withdrawn through the sampling probe and analyzed. The sampling probe is contacted with the substrate during at least a portion of the delivering, reacting and withdrawing steps.

Abstract: An apparatus and a method for rapidly generating and processing a plurality of isolated effluents have been developed. A specific embodiment involves screening a plurality of solids through simultaneously contacting the members of the plurality with a fluid, sequentially sampling the resulting fluids, and processing the resulting fluids to, for example, determine changes as compared to the feed fluid or as compared to other resulting fluids.

Abstract: A system for determining a reagent solution quality indicator includes a reagent solution source for supplying the reagent solution to an emissions catalyst configured to receive a NOx-containing gas therethrough, means for determining a flow rate of NOx reduced from the gas by the catalyst, means for determining a flow rate of the reagent solution into the catalyst, and a control circuit determining the reagent solution quality indicator as a function of the NOx flow rate and the reagent solution flow rate. The system may additionally be configured to diagnose reagent solution quality by configuring the control circuit to monitor the reagent solution quality indicator over time and produce a fault value if the reagent solution quality indicator crosses a reagent quality indicator threshold, and to diagnose the catalyst by producing another fault value if the catalyst capacity point falls outside of a catalyst capacity point threshold.

Abstract: A process for evaporating a liquid feed and reacting said feed in the presence of catalyst to make product within a reactor having both an evaporation zone and a reaction zone comprises the steps of providing packing in the evaporation zone, providing catalyst in the reaction zone, introducing the liquid feed to the evaporation zone through an injector having an orifice, where the orifice and the packing define a gap that is sufficiently small to interfere with the formation of a liquid drop at the orifice, vaporizing the liquid feed within the evaporation zone to form a vapor, flowing the vapor to the reaction zone and contacting, at reaction conditions, the vapor with a catalyst to form product.

Abstract: The invention relates to an automated method for carrying out reactions with high spatial resolution on libraries of different materials and for analysis of the products obtained using a simple robot system and an analyzer, for example a mass spectrometer.

Abstract: A heat generation amount qr/r per unit flow amount of combustible substances supplied to a catalyst is estimated based on upstream and downstream temperature information and supplemental engine information. A deteriorated condition of the catalyst is detected based on a judgement whether or not the estimated heat generation amount is smaller than a predetermined judging value D.