Synthesis Process Patents (Class 700/268)
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Patent number: 7813839Abstract: A production process such as an isocyanate production process, conducted with a production facility having (a) at least two incoming streams, b) at least one exit stream and c) at least one inner recycling stream is controlled by adjusting at least one incoming stream amount by means of regulating controls to control the exit stream concentration and/or amount.Type: GrantFiled: January 22, 2007Date of Patent: October 12, 2010Assignee: Bayer MaterialScience AGInventors: Jochen Mahrenholtz, Stefan Wershofen, Gerhard Then, Sabine Pegel, Jun Wang, Erman Sevinc, Richard H. Guhl
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Patent number: 7811827Abstract: The invention provides methods and apparatus for characterizing complex polymeric mixture of interest. Candidate solutions are eliminated from a solution space using one or more experimental measurements of a polymeric mixture of interest. The elimination step can be repeated one or more times using different experimental measurements produced by various chemical and physical protocols, so that the remaining candidate solutions converge to describe the actual polymeric mixture under investigation. Once the composition of the complex polymeric mixture has been characterized, the information thus generated can be used to facilitate, for example, the manufacture of a bio-equivalent of the complex polymeric mixture.Type: GrantFiled: July 1, 2008Date of Patent: October 12, 2010Assignee: Momenta Pharmaceuticals, Inc.Inventor: Sasisekharan Raguram
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Publication number: 20100256816Abstract: Manufacturing execution systems (MES) are disclosed herein. The MES and methods described herein provide an ability to control and monitor manufacturing processes (for example, chemical and pharmaceutical) and can ensure data and product integrity and ultimately minimize overall manufacturing cost.Type: ApplicationFiled: April 15, 2010Publication date: October 7, 2010Inventor: Shane M. Popp
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Publication number: 20100161133Abstract: System and method for chemical manufacture utilizing a dynamic optimizer for a chemical process including upstream and downstream processes. The dynamic optimizer includes a maximum feed calculator, operable to receive one or more local constraints on the downstream processes and one or more model offsets, and execute steady state models for the downstream processes in accordance with the local constraints and the offsets to determine maximum feed capacities of the downstream processes; and a feed coordinator, operable to receive the maximum feed capacities, and execute steady state models for the upstream processes in accordance with the maximum feed capacities and a specified objective function, subject to global constraints, to determine upstream production parameters for the upstream processes, which are usable to control the upstream processes to provide feeds to the downstream processes in accordance with the determined maximum feeds and the objective function subject to the global constraints.Type: ApplicationFiled: March 2, 2010Publication date: June 24, 2010Applicant: Rockwell Automation Technologies, Inc.Inventors: Timothy Morrison, Michael Sugars
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Patent number: 7724257Abstract: The database is populated with target chemicals, corresponding listings of reagent chemicals, corresponding listings of equipment and corresponding listings of procedures. The database is then searched in response to user identification of a target chemical. In response, a listing is displayed of reagent chemicals that are used to synthesize the target chemical, equipment that is used to synthesize the target chemical, and a procedure that is used to synthesize the target chemical by reacting the reagent chemicals in the equipment according to the procedure. An icon-based reaction editor and/or context-sensitive Boolean query option generators may be provided. A reaction template may be used to perform predictive chemistry. A reaction relay may be used to graphically display related chemicals and procedures using a hub and spoke arrangement.Type: GrantFiled: July 19, 2007Date of Patent: May 25, 2010Assignee: Symyx Solutions, Inc.Inventors: Robin Young Smith, William Brian Ballard, David Albert Coleman
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Publication number: 20100074838Abstract: A hydrogen generator includes: a reformer (1) configured to generate a hydrogen-containing gas from a material gas; a combustor (2) configured to heat the reformer (1); a first gas supplying passage through which a gas discharged from the reformer (1) is supplied to the combustor (2) or a second gas supplying passage through which the material gas is supplied to the combustor (2); an ignitor (4) configured to carry out an ignition operation in the combustor (2); a pressure increasing device (17) configured to increase pressure of the material gas supplied to the reformer (1) or the combustor (2); a flow rate control valve (18) configured to control a flow rate of the material gas supplied to the reformer (1) or the combustor (2); and a controller (25), and in an ignition operation period of the ignitor (4), the controller (25) causes the pressure increasing device (17) to operate to supply the material gas to the combustor (2), and causes an opening degree of the flow rate control valve (18) to increase fromType: ApplicationFiled: February 28, 2008Publication date: March 25, 2010Inventors: Akinari Nakamura, Yoshio Tamura, Masataka Ozeki, Hideo Ohara
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Publication number: 20100065435Abstract: The method of process control is for a Hall-Héroult process of aluminum production from alumina ore in an industrial potline. The method includes measuring an array of sampled potline data including a plurality of cell voltages (V) and a plurality of line amperages (A) at a plurality of time points. The method also includes calculating a predicted voltage (PV) for each cell voltage and line amperage in the array. The method further includes controlling a plurality of alumina ore feed rates and a plurality of pot voltage settings based upon the predicted voltages. The method also includes calculating a plurality of bath temperatures based upon the predicted voltages. The PV variable is preferably used in an automated control environment. The PV variable is also preferably used to monitor cell noise levels, operating temperature, metal pad roll, and oscillatory electrical shorting events.Type: ApplicationFiled: December 18, 2007Publication date: March 18, 2010Inventor: Michael Schneller
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Publication number: 20100040915Abstract: A hydrogen generator (4) includes: a reformer (5) which is supplied with a raw material to generate a hydrogen-containing gas through a reforming reaction; a first gas supplying unit (1) which supplies a gas containing a nitrogen-containing compound to the reformer; a CO remover (7) which has an oxidation catalyst containing a metal to be poisoned by ammonia and uses the oxidation catalyst and an oxidation gas to remove carbon monoxide in the hydrogen-containing gas through an oxidation; a second gas supplying unit (3) which supplies the oxidation gas to the CO remover; and a control unit (10), wherein the gas containing the nitrogen-containing compound is supplied from the first gas supplying unit to the reformer during the reforming reaction, a fuel cell system (100) includes the hydrogen generator (4), and the control unit is configured to control to carry out a regeneration operation of the oxidation catalyst if a parameter regarding a cumulative amount of ammonia supplied to the CO remover has reached aType: ApplicationFiled: January 15, 2007Publication date: February 18, 2010Inventors: Hidenobu Wakita, Yukimune Kani, Seiji Fujihara, Kunihiro Ukai, Akira Maenishi
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Patent number: 7593788Abstract: A method and apparatus for use in regenerating a reactor shift bed catalyst are disclosed. The method comprises monitoring the saturation level of a reactor shift bed catalyst in a reformer; automatically detecting that the reactor shift bed catalyst has entered a saturated state; and automatically regenerating the reactor shift bed catalyst in response to automatically detecting the saturated state. The apparatus may be, in various aspects, a program storage method encoded with instructions that, when executed by a computing device, performs such a method; a computing apparatus programmed to perform such a method, or a control system performing such a method.Type: GrantFiled: December 17, 2004Date of Patent: September 22, 2009Assignee: Texaco Inc.Inventors: Hongqiao Sun, Daniel G. Casey, Vesna R. Mirkovic, Bhaskar Balasubramanian, W. Spencer Wheat, Curtis L. Krause
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Patent number: 7575932Abstract: The invention relates to a method for monitoring exothermic reactions in a reactor, in which one or more starting materials react exothermically to give at least one product, and at least one gas is present in the reactor during operation as intended or during a runaway, comprising the following process: A) measurement and storage of an initial temperature and an initial pressure in the reactor, B) calculation of the amount of products and starting materials present in the reactor from an energy balance, C) calculation of a maximum pressure raise that occurs on stepwise reaction of the amount of starting materials present, and D) calculation of a runaway pressure from the maximum pressure raise that occurs, calculated in step C), and the measured initial pressure stored in step A).Type: GrantFiled: June 6, 2003Date of Patent: August 18, 2009Assignee: BASF AktiengesellschaftInventors: Ulrich Nieken, Jobst Rüdiger von Watzdorf, Jochen Keβler, Christina Benthack, Hubertus Kröner, Thomas Hauff, Peter Schlemmer
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Publication number: 20090069944Abstract: A method for assuring safety of a particular chemical process plant includes measuring, for each of a plurality of sets of proposed process conditions for a particular chemical process within the particular chemical process plant, a pressure rise rate following a deliberate contained ignition of at least one material used within the particular chemical process. From the resulting plurality of pressure rise rates that corresponds with the plurality of sets of proposed process conditions a particular pressure rise rate that allows for a safe operation of the particular chemical reaction within the particular chemical process plant may be selected. The particular chemical process may be implemented within the particular chemical process plant while using a particular set of process conditions from the plurality of sets of process conditions that corresponds with the selected pressure rise rate.Type: ApplicationFiled: September 10, 2007Publication date: March 12, 2009Applicant: SD LIZENZVERWERTUNGSGESELLSCHAFT MBH & CO. KGInventors: Barry Jay Billig, John James Sullivan
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Patent number: 7502667Abstract: Production plants for treating gas mixtures and methods of their operation. The plant's treatment unit is operated in periods when the cost of electricity is either above a first level or below a second level. At some point when the cost is below the second level, part of the fluid is stored in a storage tank. This stored liquid is supplied to the customer when the cost is above the first level. When the cost is below the second level, a fluid with predefined properties is produced by the treatment unit. When the cost is above the first level, the power consumption of the treatment unit is reduced and a less ideal fluid is produced.Type: GrantFiled: June 24, 2003Date of Patent: March 10, 2009Assignee: L'Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l'Etude et l'Exploitation des Procedes Georges ClaudeInventors: Alain Guillard, Patrick Le Bot
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Patent number: 7482163Abstract: 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.Type: GrantFiled: February 18, 2005Date of Patent: January 27, 2009Assignee: Nanostellar, Inc.Inventors: Cetin Kilic, Jangsuk Hyun, Ligen Wang, Mats Larsson, Juan Cai, Jifei Jia, Xianghong Hao, Jonathan W. Woo
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Publication number: 20080294289Abstract: The present disclosure provides methods of synthesizing alkylating agents and methods of use.Type: ApplicationFiled: December 21, 2007Publication date: November 27, 2008Applicant: The Queen's Medical CenterInventor: John L. LIM
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Patent number: 7438855Abstract: An apparatus for measuring a glucose concentration is noninvasive, accurate, and compact. The apparatus includes a detection unit (10) and a principal component analysis (PCA) unit (20). The detection unit includes a light source (11) to emit mid-infrared light, an ATR prism (12) to receive the mid-infrared light with a measuring object placed on the ATR prism, and a spectrum detector (13) to detect an absorption spectrum from the mid-infrared light from the ATR prism. The PCA unit includes a loading memory (24) to store a glucose corresponding loading and a personal data memory (28) to store personal data in the form of a calibration curve. According to the detected absorption spectrum, stored loading, and stored personal data, the PCA unit computes a glucose concentration of the measuring object.Type: GrantFiled: July 12, 2002Date of Patent: October 21, 2008Assignees: Waseda University, Photoscience IncorporatedInventors: Takayuki Sota, Atsushi Nakamura, Katsuo Aizawa, Masao Kanazawa, Takeshi Hasegawa
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Publication number: 20080243310Abstract: Method of controlling production of a plant incorporating one or more chemical processes in which products are produced through consumption of raw materials. In accordance with the method, current production rates of the products are computed by semi-empirical process models that are corrected through error corrections of actual production rates to produce corrected models. The production is then optimized using the corrected models to maximize the variable margin gained upon the sale of the products. The optimization yields targets that either directly or at least influence consumption of the raw materials. The raw materials are then introduced into the process or processes in accordance with the targets.Type: ApplicationFiled: March 28, 2007Publication date: October 2, 2008Inventors: William R. Esposito, Solomon Dadebo
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Publication number: 20080228321Abstract: An apparatus, method, and computer program for controlling an ammonia production system are provided. At least one model is associated with production equipment operable to produce ammonia, where the production equipment includes a reformer section, a carbon dioxide wash section, and an ammonia synthesis reactor section. The production equipment is controlled using the at least one model. The at least one model is associated with a plurality of controlled variables and a plurality of manipulated variables. At least some of the controlled variables are associated with the reformer section, the carbon dioxide wash section, and/or the ammonia synthesis reactor section. At least some of the manipulated variables are associated with the reformer section, the carbon dioxide wash section, and/or the ammonia synthesis reactor section.Type: ApplicationFiled: March 13, 2007Publication date: September 18, 2008Applicant: Honeywell International Inc.Inventor: Michiel van Wijck
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Patent number: 7407810Abstract: The invention provides methods and apparatus for characterizing complex polymeric mixture of interest. Candidate solutions are eliminated from a solution space using one or more experimental measurements of a polymeric mixture of interest. The elimination step can be repeated one or more times using different experimental measurements produced by various chemical and physical protocols, so that the remaining candidate solutions converge to describe the actual polymeric mixture under investigation. Once the composition of the complex polymeric mixture has been characterized, the information thus generated can be used to facilitate, for example, the manufacture of a bio-equivalent of the complex polymeric mixture.Type: GrantFiled: September 1, 2004Date of Patent: August 5, 2008Assignee: Momenta Pharmaceuticals, Inc.Inventor: Sasisekharan Raguram
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Patent number: 7375035Abstract: A host and ancillary tool interface methodology for distributed processing is described. The host tool manages a process, except for the generation of a product used in the process. To generate the product, the host tool provides an indication to an ancillary tool that the product is to be generated, and the ancillary tool generates the product after detection of the indication with no further intervention by the host tool. To provide the indication, the host tool preferably activates a control line whose voltage is monitored by the ancillary tool, or alternatively, sets one or more bits in a memory which is periodically checked by the ancillary tool.Type: GrantFiled: April 29, 2003Date of Patent: May 20, 2008Assignee: Ronal Systems CorporationInventors: Craig R. Heden, Albert R. DePetrillo, Robert M. McGuire
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Patent number: 7318970Abstract: A control technique for use in a fuel processor is disclosed. In one aspect, a control system includes a subsystem manager controller the operation of a respective physical subsystem for each of a plurality of physical subsystems in the fuel processor. The subsystem managers take their direction from a master control manager. In a second aspect, the subsystem managers collectively form a layer operating in conjunction with a second layer capable of interfacing the subsystem managers to their respective physical subsystems, a third layer capable of interfacing the subsystem managers with the second layer. In a third aspect, master control manager manages the operation of each physical subsystem through a respective subsystem manager, directs state transitions of the subsystem managers, and routs interaction between the subsystem managers from the master control manager.Type: GrantFiled: April 4, 2003Date of Patent: January 15, 2008Assignee: Texaco Inc.Inventors: Vesna R. Mirkovic, W. Spencer Wheat, Hugh N. To, Dennis J. Benedetto
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Patent number: 7247277Abstract: An automatic synthesis machine is used for synthesis of compounds using a plurality of vessels, allowing reagents to chemically react with each other. The automatic synthesis machine comprises a selection means for selecting a specific vessel among a plurality of vessels, a display device for displaying the vessel selected by the selection means in a manner such that it can be identified, together with the operation contents (suction and injection) related to the selected vessel, and an analysis means for analyzing a protocol prescribing a series of operational procedures for synthesis of compounds and picked-out commands related to the selected vessel from the protocol.Type: GrantFiled: October 30, 2000Date of Patent: July 24, 2007Assignee: Shimadzu CorporationInventors: Takaaki Inoue, Yutaka Kuratani, Kenichi Kitamura
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Patent number: 7232782Abstract: Methods and systems for regenerating and pretreating oxides of manganese and precipitation of oxides of manganese from manganese salt solutions. The oxides of manganese and manganese salt solutions are processed utilizing heated aqueous oxidizing solutions at or near boiling at atmospheric pressure. Solution temperature, Eh value and pH value are monitored and adjusted so as to move solution conditions into and to maintain them within the MnO2 stability area. This results in regenerated, pretreated and precipitated oxides of manganese having high or increased pollutant loading capacities and/or oxidation states. Oxides of manganese thus produced are, amongst other uses; suitable for use as a sorbent for capturing or removing target pollutants from industrial gas streams. Filtrate process streams containing useful and recoverable value present as spectator ions may be further processed to produce useful and marketable by-products.Type: GrantFiled: March 6, 2003Date of Patent: June 19, 2007Assignee: Enviroscrub Technologies Corp.Inventors: Charles F. Hammel, Richard M. Boren, Patrick A. Tuzinski
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Patent number: 7212951Abstract: Steric features inherent in the three dimensional disposition of atoms in molecules can be represented as multiplets using a defined set of steric descriptors. The resulting multiplets can be encoded in a compressed form of bitstring known as a bitmap. Such bitmaps can be generated in compressed form and used to compare individual conformers or ensembles of conformers of molecules to each other without decompression. Such comparisons are useful in molecular similarity analysis, in molecular diversity analysis, in database searching, and in conformational analysis.Type: GrantFiled: August 25, 2004Date of Patent: May 1, 2007Assignee: Tripos, Inc.Inventors: Edmond Abrahamian, Robert D. Clark, Peter Fox, Essam Metwally
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Patent number: 7191037Abstract: A method for controlling production process by performing near-infrared absorptiometric analysis by simple procedures in an accurate manner, in which control of production process step can be realized at a high accuracy by simple operation based on the thereby obtained analytical results, the said method comprising taking each absorbance spectrum for a plurality of standard samples in an analysis range including near-infrared region, calculating the average intensity and standard deviations for each of selected wave lengths to construct a data base, taking an absorbance spectrum in the said analysis range for each of analysis samples and comparing it with the data base in order to judge whether or not the intensity of the absorbance spectrum is within an assumed tolerance limit determined based on the stored standard deviations of the standard samples in the data base to thereby obtain control data by comparing, when wave lengths at which the observed intensity is outside the tolerance limit are present, thesType: GrantFiled: August 6, 2001Date of Patent: March 13, 2007Assignee: Mitsui Chemicals, Inc.Inventors: Toshiharu Mitani, Masami Tsuruoka, Yasuo Miyoshi
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Patent number: 7188001Abstract: A system for controlling the temperature of a reaction mixture comprises at least one heating device for heating the mixture and a power regulator for regulating the amount of power supplied to the heating device. A controller in communication with the power regulator includes program instructions for heating the reaction mixture by setting a variable target temperature that initially exceeds a desired setpoint temperature for the mixture. When the heating device reaches a threshold temperature, the variable target temperature is decreased to the desired setpoint temperature. In another embodiment, the controller includes an adaptive control program for dynamically adjusting the duration or intensity of power pulses provided to the heating device.Type: GrantFiled: January 27, 2003Date of Patent: March 6, 2007Assignee: CepheidInventors: Steven J. Young, Gregory T. A. Kovacs, M. Allen Northrup, Kurt E. Petersen, William A. McMillan, Konstantin Othmer, Lee A. Christel
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Patent number: 7103450Abstract: A method for continuously preparing a medium formulation mixes a diluent with a plurality of chemically incompatible concentrate solutions in such a manner that none of the ingredients of the concentrate solutions chemically react in an adverse manner. The method utilizes a static mixing chamber to add the concentrate solutions to the diluent stream sufficiently in advance of one another so that adverse chemical reactions do not occur. The method also adjusts a pH level of the diluent prior to adding any of the concentrate solutions to the diluent.Type: GrantFiled: February 28, 2002Date of Patent: September 5, 2006Assignee: Invitrogen CorporationInventors: James M Kubiak, Todd A Battistoni, David J Jayme
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Patent number: 7097808Abstract: An automatic analyzer analyzes a measurement item by making a sample and reagent react with each other and measuring the reaction result. This apparatus allows parameters associated with reagent dispensing executed by a reagent dispensing mechanism to be set as a dispensing condition for each measurement item or each type of reagent, and controls the reagent dispensing mechanism on the basis of the dispensing condition.Type: GrantFiled: May 3, 2000Date of Patent: August 29, 2006Assignee: Kabushiki Kaisha ToshibaInventor: Takehiko Onuma
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Patent number: 7069198Abstract: A method for formulating paint is disclosed. The method includes providing a plurality of color coordinates of paints formed from a plurality of formulations and providing durability data related to the paints. Thereafter, the color coordinates, the formulations and the durability data are correlated to assist in forming paints of acceptable durability.Type: GrantFiled: January 3, 2002Date of Patent: June 27, 2006Assignee: General Motors CorporationInventors: Daniel Loyce Snyder, Walter Keith Hammock, Jodell Naomi Wittenberg
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Patent number: 7056477Abstract: A modular chemical production system that preferably includes a microreactor for producing a product by reacting two or more reactants. Modularization enables components such as controllers, pumps, valves, microreactors, and processing modules to be added or removed from the system as required to produce a desired product. A minimum system includes a control module and a reaction module, which has a mixing volume and a reaction volume. Various pumping modules and residence time modules may also be included in the system. Modules can be changed if malfunctioning, or for producing a different product, or to change a quantity of the chemical produced. The control module preferably accesses a database in which data define parameters for a plurality of different reactions that are optimized for the production of different chemical products.Type: GrantFiled: May 24, 2000Date of Patent: June 6, 2006Assignee: Cellular Process Chemistry, Inc.Inventors: Thomas Schwalbe, Sebastian Oberbeck, Klaus Golbig, Michael Hohmann, Andreas Oberbeck
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Patent number: 7035715Abstract: Apparatus and process for producing a clay slurry from raw clay in a substantially dust-free manner including a water-driven vacuum eductor for metering the removal of clay from a super bag container and mixing the clay with a carrier water that also serves as the motive force for the eductor for producing a clay slurry and feeding it to an equalization tank that de-aerates and equalizes the slurry. A bag shaker is provided in the source of clay to assist feeding where needed, and a vacuum breaking valve is provided for the eductor to control the flow of raw clay into the eductor. The bag of clay is suspended from a load cell that continuously delivers a weight signal to a programmable logic controller adjustable to set the rate of clay being fed to the eductor and to activate the bag shaker if the clay flow rate lags the set rate and the vacuum breaker if the clay flow rate exceeds the set rate.Type: GrantFiled: May 15, 2002Date of Patent: April 25, 2006Inventor: Ronnie J. Burkhead
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Patent number: 7024251Abstract: A method to control a process, wherein the status of the process can be altered by a multitude of actions, wherein the action is controlled by basic control units, wherein at least one basic control unit is coordinated by at least one group control unit and wherein this basic control unit has various functions.Type: GrantFiled: April 4, 2003Date of Patent: April 4, 2006Assignee: Shell Oil CompanyInventor: Franciscus Johanna Arnoldus Martens
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Patent number: 6969490Abstract: The device of the present invention delivers reactants to a reaction zone in a plug flow reactor. The feedblock encircles the reaction zone. Reactants enter the feedblock through an inlet port leading to a manifold for the delivery of reactants into a plurality of feed ports that are in connection with the reaction zone of a plug flow reactor. The invention additionally encompasses plug flow reactors including one or more feedblocks and the method of utilizing the feedblock for the reduction of radial variation in concentration upon entry of a reactant into the reaction zone.Type: GrantFiled: June 26, 2003Date of Patent: November 29, 2005Assignee: 3M Innovative Properties CompanyInventors: Ryan E. Marx, James M. Nelson, Shivshankar Venkataramani
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Patent number: 6799089Abstract: For estimating a property of use, for example the activity of a catalyst or the ability to hold a ratio-element in a solid mineral matrix, or a material MAB whose active element is AB, there are used a descriptor DAB of the chemical bond between A and B, which has the dimension of an energy, and index RAB that measures the property of use of said material. The invention also relates to a process for determining the chemical affinity of an element or a set of elements B for a matrix A with a descripor DAB. The process according to the invention advantageously can be used for the design of new materials whose use produces the formation or the modification of at least one chemical bond or makes it necessary to prevent the formation of said bond.Type: GrantFiled: June 8, 2001Date of Patent: September 28, 2004Assignee: Institut Francais du PetroleInventor: Hervé Toulhoat
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Publication number: 20040181313Abstract: The present invention provides a process for managing hydrogen in a hydrocarbon gas to liquid plant. The process includes feeding a syngas stream produced by a partial oxidation reactor to a Fischer-Tropsch reactor, thereby converting the syngas to hydrocarbon liquids. It also includes passing a substantially oxygen-free feed stream comprising hydrocarbon gas and water to a steam reformer, thereby producing a hydrogen-rich stream. The H2/CO ratio in the syngas feed stream can be adjusted to a desired value by introducing a first portion of the hydrogen-rich stream to the syngas feed stream. A second portion of the hydrogen-rich stream can be passed to one or more hydrogen users, e.g., a catalyst regeneration unit, in the GTL plant.Type: ApplicationFiled: March 15, 2003Publication date: September 16, 2004Applicant: ConocoPhillips CompanyInventors: Sergio R. Mohedas, Stephen R. Landis, Rafael L. Espinoza, Ralph T. Goodwin, Barbara A. Belt
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Patent number: 6763309Abstract: A catalyst development engine (CDE) provides a rapid approach to the rational development of scalable heterogeneous catalysts and of high-performance solid materials. The CDE includes three main components: the testing cycle, the knowledge cycle, and the knowledge repository or database. The knowledge cycle generates working hypotheses relating performance to key catalyst properties via machine learning methods, computation chemistry and micro-kinetic modeling. Such an approach accelerates development and scale-up of new materials without the impediments introduced by conventional combinatorial approaches based on randomly selected materials.Type: GrantFiled: February 5, 2002Date of Patent: July 13, 2004Assignee: NovoDynamics, Inc.Inventors: Laurent Kieken, Enrique Iglesia, Matthew Neurock, John Matthew Trenkle
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Publication number: 20040122641Abstract: A system and method for chemical process design and process scale-up. In all embodiments, the system includes a mechanism for development of process topology for at least one chemical reaction, with the at least one chemical reaction comprising a recipe. In one embodiment, the system further includes a language handler for entry of the recipe. The language handler accepts textual information in free form for representation of the recipe. Such free form textual entry reflects the actual, or natural, language, used by chemists to describe laboratory processes, and is therefore very efficient and easy to use. In another embodiment, the at least one chemical reaction comprises a recipe for synthesizing at least one chemical product. The system also includes a mechanism whereby the development of the process topology includes the identification of one or more types of equipment necessary to manufacture the at least one chemical product using the recipe.Type: ApplicationFiled: December 20, 2002Publication date: June 24, 2004Applicant: Lab2Plant, Inc. (an Indiana corporation)Inventors: David C. Miller, Phillip H. Smith
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Patent number: 6751527Abstract: A method comprising: a) selecting a loading variable from operating variables, the loading variable being directly related to total energy input into the system and equipment constraint of the system; b) selecting a performance specification variable which is required to be kept within a defined target at all times during operation of the system; and c) pairing the performance specification variable with a manipulated variable having a mass/balance relationship to the performance specification which is not the loading variable and; d) controlling the manipulated variable to maintain the performance specification variable with the defined target.Type: GrantFiled: February 9, 2001Date of Patent: June 15, 2004Assignee: Stone & Webster Process Technology, Inc.Inventor: Charles Herzog
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Patent number: 6727096Abstract: 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.Type: GrantFiled: November 28, 2000Date of Patent: April 27, 2004Assignee: Symyx Technologies, Inc.Inventors: Pei Wang, G. Cameron Dales
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Patent number: 6689324Abstract: A communication system for automatic synthesis apparatus is formed of an automatic synthesis apparatus and a computer connected to the automatic synthesis apparatus. The automatic synthesis apparatus has a reaction block to produce synthetic compounds along synthesis procedures, and an operation notification creation device for creating operation notification mails according to operating conditions in the synthesis procedures. The computer includes a per-operation transmission setting device for setting to the automatic synthesis apparatus as to whether transmissions of the operation notification mails along the synthesis procedures to the computer are performed or not, and an operation notification mail display device for displaying the operation notification mail. The operating conditions can be monitored by the operation notification mail display device as desired.Type: GrantFiled: February 8, 2001Date of Patent: February 10, 2004Assignee: Shimadzu CorporationInventor: Takaaki Inoue
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Patent number: 6668230Abstract: A modular materials characterization apparatus includes a sensor array disposed on a substrate, with a standardized array and contact pad format; electronic test and measurement apparatus for sending electrical signals to and receiving electrical signals from the sensor array; an apparatus for making electrical contact to the sensors in the standardized array format; an apparatus for routing signals between one or more selected sensors and the electronic test and measurement apparatus and a computer including a computer readable having a computer program recorded therein for controlling the operator of the apparatus. The sensor array is preferably arranged in a standardized format used in combinatorial chemistry applications for rapid deposition of sample materials on the sensor array.Type: GrantFiled: December 10, 2002Date of Patent: December 23, 2003Assignee: Symyx Technologies, Inc.Inventors: Paul Mansky, James Bennett
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Publication number: 20030220716Abstract: Method and apparatus for designing a synthesis route for a target molecule is provided. The method for designing a synthesis route for a target molecule comprises: generating a plurality of individuals, wherein each individual encodes a synthesis route; decoding each individual to produce a synthesis route comprising at least one reactant molecules and at least one reaction; and determining how well the synthesis route satisfies a design goal. A computer readable medium containing instructions for a computer program executable by the computer to perform a method for designing a synthesis route for a target molecule is also provided. The apparatus comprises a parallel computer system for executing instructions of a computer program to perform a method for designing a synthesis route for a target molecule.Type: ApplicationFiled: May 30, 2003Publication date: November 27, 2003Applicant: PHARMIX CORPORATIONInventors: William Mydlowec, Jessen Yu
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Patent number: 6647342Abstract: A method and system for the development of materials includes a high-throughput data-generation cycle, a knowledge-generation cycle, and a knowledge repository or database. The data-generation cycle generates high-quality data for the virtual and experimental evaluation of new catalytic materials. The knowledge-generation cycle generates working hypotheses, relating performance to catalyst properties, from analysis and modeling of experimental and virtual data and data from literature, from correlations generated from experimental, theoretical, and/or modeling findings, and optionally from computational chemistry modeling investigations, in order to identify better materials.Type: GrantFiled: August 6, 2001Date of Patent: November 11, 2003Assignee: NovoDynamics, Inc.Inventors: Enrique Iglesia, Laurent Kieken, Matthew Neurock
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Patent number: 6600970Abstract: A method of establishing a synthesis path in a multiplicity of potentially interlinakable reactions, and a computer program to prepare a synthesis path.Type: GrantFiled: September 5, 2001Date of Patent: July 29, 2003Assignee: Merck Patent GmbHInventor: Klemens Bley
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Patent number: 6590131Abstract: A method for monitoring and improving the performance of a chemical manufacturing process by monitoring transients associated with the operation of process equipment located dowstream of upstream equipment is disclosed. Transients on signals such as the motor current to downstream powder feeding equipment provide early indications of changes in chemical process performance which can then be corrected by altering chemical manufacturing process conditions.Type: GrantFiled: April 20, 2001Date of Patent: July 8, 2003Assignee: BP Corporation North America Inc.Inventors: Dennis L. McGinn, William D. Stephens, J. Andy Gray, Betzy Janssen, Gomer E. Stover, James A. Waltz, Ramaswamy Vaidyanathan, David R. Van Hare, Jerome J. Marcec
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Patent number: 6567751Abstract: There is disclosed a method and a computer system enabling high-throughput combinatorial synthesis and screening of lighting phosphors. The system links hardware instrumentation for synthesis and screening. It records, sorts, and analyzes photo-metric data gathered from the combinatorial studies, along with the characteristics of the combinatory processes. The system provides a database as the data storage and query engine, an analysis module as the processor for analytical operations, and an interface for accepting the user's input and displaying the analysis results and other information requested by the user.Type: GrantFiled: November 3, 2000Date of Patent: May 20, 2003Assignee: General Electric CompanyInventor: Xiao-Dong Sun
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Patent number: 6489168Abstract: 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.Type: GrantFiled: January 29, 1999Date of Patent: December 3, 2002Assignee: Symyx Technologies, Inc.Inventors: Pei Wang, G. Cameron Dales
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Publication number: 20020049516Abstract: The present invention concerns a method of establishing synthesis paths in a multiplicity of potentially interlinkable reactions.Type: ApplicationFiled: September 5, 2001Publication date: April 25, 2002Applicant: Merck Patent GmbHInventor: Klemens Bley
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Publication number: 20010024465Abstract: A communication system for automatic synthesis apparatus is formed of an automatic synthesis apparatus and a computer connected to the automatic synthesis apparatus. The automatic synthesis apparatus has a reaction block to produce synthetic compounds along synthesis procedures, and an operation notification creation device for creating operation notification mails according to operating conditions in the synthesis procedures. The computer includes a per-operation transmission setting device for setting to the automatic synthesis apparatus as to whether transmissions of the operation notification mails along the synthesis procedures to the computer are performed or not, and an operation notification mail display device for displaying the operation notification mail. The operating conditions can be monitored by the operation notification mail display device as desired.Type: ApplicationFiled: February 8, 2001Publication date: September 27, 2001Applicant: SHIMADZU CORPORATIONInventor: Takaaki Inoue
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Patent number: 6269286Abstract: An integrated control system (ICS) for a gasification plant controls the operation of a gasifier and other critical components of the gasification plant. The ICS improves the performance of a gasification plant by controlling the operation of a gasifier and other critical components by an integrated controller, rather than by several independent controllers. The ICS is a sub-system of a larger distributed control system that controls the operation of the gasification plant. The ICS controls the following: (i) oxygen to carbon (O/C) ratio in a gasifier; (ii) syngas demand or the desired output of a gasifier; (iii) load constraints; (iv) moderator flow into a gasifier; (v) air separation unit (ASU); (vi) oxygen header vent valves; and (vii) syngas header pressure.Type: GrantFiled: September 17, 1998Date of Patent: July 31, 2001Assignee: Texaco Inc.Inventors: Daniel W. Tse, George M. Gulko, Paul S. Wallace
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Patent number: 6212436Abstract: Object services like methods or properties are provided to or inherited by objects dynamically during run-time. In one method of providing dynamic inheritance, hierarchical relationships are defined between multiple objects such that each object references or is referenced by another object. A call is made for a particular service (e.g., a method or property) at a selected object. The service is provided directly from the object whenever the service is available therefrom. Whenever the selected service is unavailable at the selected object, the call is passed to a hierarchically superior object. Another aspect of dynamic inheritance is that an object, such as the root object, may include one or more methods for adding or otherwise changing the methods or properties available from that object.Type: GrantFiled: February 24, 1998Date of Patent: April 3, 2001Assignee: Microsoft CorporationInventors: Kirk J. Marple, Manny Vellon, Steven M. Drucker