Abstract: A reaction pathfinder system can leverage historical chemical reaction data and determine a synthesis route in a reaction network. The reaction pathfinder system can account for various performance criteria of chemical reactions such as a highest yield for a molecule or a minimal number of reaction steps. A reaction pathfinder system receives a user request for a synthesis route including one of a user-specified molecule or a user-specified reaction. The reaction pathfinder system may then query a reaction network that has various synthesis routes and represents reactions of reactants to produce respective molecules. The reaction network may be composed of molecule nodes and reaction nodes. The reaction pathfinder system determines, using the reaction network, the synthesis route from the synthesis routes to fulfill the user's request.

Abstract: As described herein, nickel treated with sulfur provides a surprisingly effective source of nickel atoms for generating nickel-phosphorus-containing ligand complexes useful as hydrocyanation catalysts.

Abstract: A novel nickel particulate form is provided that efficiently forms a zero-valent nickel complex with a phosphorus-containing ligands in an organic liquid to form a hydrocyanation catalyst. Particles in the nickel particulate form comprise nickel crystallites. For example, the nickel particulate form can have a BET Specific Surface Area of at least about 1 m2/gm; an average crystallite size less than about 20-25 nm, the nickel particulate form can have at least 10% of the crystallites in the nickel form can have can have a diameter (C10) of less than about 10 nm, and/or there are on average at least about 1015 surface crystallites per gram nickel. A ratio of BET SSA to C50 for the nickel particulate form can be at least about 0.1×109 m/gm and preferably at least about 0.4×109 m/gm. Methods of preparation and use are also provided.

Abstract: The present disclosure relates to systems and methods for recovering water from a condensation reaction of at least one carboxylic acid and at least one diamine to make polyamide. The method can include obtaining, from an evaporator, an aqueous mixture comprising a partially polymerized polyamide and at least one of a carboxylic acid and diamine; passing the aqueous mixture through a tubular reactor comprising subjecting the aqueous mixture to a temperature and pressure sufficient to further polymerize the partially polymerized polyamide by condensation of the carboxylic acid and diamine, thereby producing water having a substantially gaseous phase; passing the water having a substantially gaseous phase into a rectification column thereby removing one or more of a diamine, a carboxylic acid and polyamide to provide purified water having a substantially gaseous phase; and condensing the purified water having a substantially gaseous phase into purified water having a substantially liquid phase.

Abstract: The present invention relates to methods, systems, and apparatus for making polyamides having at least two heat-transfer media. The method includes heating a first flowable heat-transfer medium, to provide a heated first flowable heat-transfer medium. The method includes transferring heat from the heated first flowable heat-transfer medium to a second flowable heat-transfer medium, to provide a heated second flowable heat-transfer medium. The method also includes transferring heat from the heated second flowable heat-transfer medium to at least one polyamide-containing component of a polyamide synthesis system.

Abstract: The present disclosure relates to systems and methods for manufacturing a polyamide. The method can include obtaining, from a reservoir, an aqueous solution comprising a dicarboxylic acid, a diamine, and water having a substantially liquid phase; concentrating the aqueous solution including transforming a portion of the water having a substantially liquid phase to water having a substantially gaseous phase; condensing the water having a substantially gaseous phase into condensed water having a substantially liquid phase; removing at least one impurity from at least one of the condensed water having a substantially liquid phase and the water having a substantially gaseous phase to produce cleaned water having a substantially liquid phase; and reusing the cleaned water having a substantially liquid phase.

Abstract: A novel nickel particulate form is provided that efficiently forms a zero-valent nickel complex with a phosphorus-containing ligands in an organic liquid to form a hydrocyanation catalyst. Particles in the nickel particulate form comprise nickel crystallites. For example, the nickel particulate form can have a BET Specific Surface Area of at least about 1 m2/gm; an average crystallite size less than about 20-25 nm, the nickel particulate form can have at least 10% of the crystallites in the nickel form can have can have a diameter (C10) of less than about 10 nm, and/or there are on average at least about 1015 surface crystallites per gram nickel. A ratio of BET SSA to C50 for the nickel particulate form can be at least about 0.1×109 m/gm and preferably at least about 0.4×109 m/gm. Methods of preparation and use are also provided.

Abstract: The present invention relates to reduction of corrosion. The present invention includes a method of decreasing corrosion during ammonia extraction. The method includes performing a process to extract ammonia using ammonia extraction equipment. The ammonia extraction equipment includes an ammonia absorber, an ammonia desorber, and an aqueous solution. The aqueous solution includes an acid or an ammonium salt thereof. The method also includes purging at least part of the aqueous solution. The purged part of the aqueous solution includes at least one corrosion-promoting ion. The method also includes adding a replacement aqueous solution to the aqueous solution. The replacement aqueous solution has a reduced concentration of the at least one corrosion-promoting ion as compared to the purged part of the aqueous solution. The invention also provides a system that can perform the method.

Abstract: The present invention relates to reduction of corrosion. The present invention includes a method of decreasing corrosion during ammonia extraction. The method includes performing a process to extract ammonia using ammonia extraction equipment. The ammonia extraction equipment includes an ammonia absorber, an ammonia desorber, and an aqueous solution. The aqueous solution includes an acid or an ammonium salt thereof. The method also includes sparging an oxygen-containing gas into the solution in the ammonia absorber, the ammonia desorber, or therebetween. The invention also provides a system that can perform the method.

Abstract: The invention provides polyester polyol compositions and resin blends, useful as components of polyurethane and polyisocyanurate polymers, produced from cyclohexane oxidation reaction byproducts, such as water extracts and non-volatile distillation residues from the reaction. Such byproducts of industrial processes for preparation of adipic acid and caprolactam, important intermediates in the production of various types of nylon, have hitherto largely been used only as fuels. The present invention provides value-added products, methods for making, and methods for using the byproduct-derived polyester polyol compositions. For example, the invention provides polyurethane (PU) and/or polyisocyanurate (PIR) polymers made using the polyol compositions and polyfunctional isocyanates. The PU and PIR polymers can be used as adhesives, binders (e.g., for wood fibers), coatings (e.g., for controlled release fertilizers), and foams.

Abstract: A novel nickel particulate form is provided that efficiently forms a zero-valent nickel complex with a phosphorus-containing ligands in an organic liquid to form a hydrocyanation catalyst. Particles in the nickel particulate form comprise nickel crystallites. For example, the nickel particulate form can have a BET Specific Surface Area of at least about 1 m2/gm; an average crystallite size less than about 20-25 nm, the nickel particulate form can have at least 10% of the crystallites in the nickel form can have a diameter (C10) of less than about 10 nm, and/or there are on average at least about 1015 surface crystallites per gram nickel. A ratio of BET SSA to C50 for the nickel particulate form can be at least about 0.1×109 m/gm and preferably at least about 0.4×109 m/gm. Methods of preparation and use are also provided.

Abstract: As described herein, nickel treated with sulfur provides a surprisingly effective source of nickel atoms for generating nickel-phosphorus-containing ligand complexes useful as hydrocyanation catalysts.

Abstract: A novel nickel particulate form is provided that efficiently forms a zero-valent nickel complex with a phosphorus-containing ligands in an organic liquid to form a hydrocyanation catalyst. Particles in the nickel particulate form comprise nickel crystallites. For example, the nickel particulate form can have a BET Specific Surface Area of at least about 1 m2/gm; an average crystallite size less than about 20-25 nm, the nickel particulate form can have at least 10% of the crystallites in the nickel form can have can have a diameter (C10) of less than about 10 nm, and/or there are on average at least about 1015 surface crystallites per gram nickel. A ratio of BET SSA to C50 for the nickel particulate form can be at least about 0.1×109 m/gm and preferably at least about 0.4×109 m/gm. Methods of preparation and use are also provided.

Abstract: The invention provides polyester polyol compositions and resin blends, useful as components of polyurethane and polyisocyanurate polymers, produced from cyclohexane oxidation reaction byproducts, such as water extracts and non-volatile distillation residues from the reaction. Such byproducts of industrial processes for preparation of adipic acid and caprolactam, important intermediates in the production of various types of nylon, have hitherto largely been used only as fuels. The present invention provides value-added products, methods for making, and methods for using the byproduct-derived polyester polyol compositions. For example, the invention provides polyurethane (PU) and/or polyisocyanurate (PIR) polymers made using the polyol compositions and polyfunctional isocyanates. The PU and PIR polymers can be used as adhesives, binders (e.g., for wood fibers), coatings (e.g., for controlled release fertilizers), and foams.

Abstract: Textile-based electrodes include a fabric portion having stretch-recovery non-conductive yarns and an electrically conductive region having stretch-recovery electrically conductive yarn filaments. The electrodes can further include float yarns and can be configured in a textured or ribbed construction. When incorporated into a garment, the electrodes can be used to monitor biophysical characteristics, such as the garment wearer's heart rate. In addition, two garments with textile based electrodes are disclosed. First, a wrist band for use with a cardiac patient remote monitoring system includes two fabric layers with integral textile-based electrodes. The skin contacting surface of the band includes a conductive region formed as a continuous ring or stripe. A connector links the conductive region to a lead to a device.

Abstract: Textile-based electrodes include a fabric portion having stretch-recovery non-conductive yarns and an electrically conductive region having stretch-recovery electrically conductive yarn filaments. The electrodes can further include float yarns and can be configured in a textured or ribbed construction. When incorporated into a garment, the electrodes can be used to monitor biophysical characteristics, such as the garment wearer's heart rate. In addition, two garments with textile based electrodes are disclosed. First, a wrist band for use with a cardiac patient remote monitoring system includes two fabric layers with integral textile-based electrodes. The skin contacting surface of the band includes a conductive region formed as a continuous ring or stripe. A connector links the conductive region to a lead to a device.

Abstract: Textile-based electrodes include a fabric portion having stretch-recovery non-conductive yarns and an electrically conductive region having stretch-recovery electrically conductive yarn filaments. The electrodes can further include float yarns and can be configured in a textured or ribbed construction. When incorporated into a garment, the electrodes can be used to monitor biophysical characteristics, such as the garment wearer's heart rate.

Abstract: A functional elastic composite yarn comprises an elastic member that is surrounded by at least one functional covering filament(s). The functional covering filament has a length that is greater than the drafted length of the elastic member such that substantially all of an elongating stress imposed on the composite yarn is carried by the elastic member. The elastic composite yarn may further include an optional stress-bearing member surrounding the elastic member and the functional covering filament.

Abstract: A system and method for monitoring blood pressure of a wearer has an inflatable arm cuff that is selectably inflatable to differing air pressures that incorporates a fabric having both a light transmission property and a light reflection property when the fabric is illuminated with light having wavelength(s) in the range from about 400 to about 2200 nanometers. A radiation source and a detector are attached to the fabric in relative positions such that the reception of incident radiation by the detector is directly affected by a change in the amount of light transmitted through the fabric relative to the amount of light reflected by the fabric as the fabric stretches in response to motion in the body of a wearer due to changes in the flow of blood through an artery disposed beneath the fabric occurring in consonance with variations in the air pressure within the inflatable cuff.

Abstract: A surface functional electro-textile fabric incorporates energy-active, electrically conductive or optically conductive fibers and nonconductive fibers in a woven or knitted textile fabric. The weave or knit pattern is selected so as to form floats of the electrically conductive fibers on at least one surface of the electro-textile fabric. The electro-textile fabric can be incorporated into an antenna structure that interacts with high frequency electromagnetic radiation, particularly in the frequency range of DC to 100 GHz.