Abstract: A coating system for coating a web of paper includes spaced apart support rollers, a guide roller, a tension roller, a motor, a dispenser, and a control system. The support rollers support respective spools of paper. The guide roller is configured for guiding the paper along a path between the spools of paper. The tension roller is positioned along the path and is configured to engage the paper. The motor is operable to rotate the support rollers and/or the tension roller. The dispenser is fixed proximal to the path and is operable to guide liquid coating onto the paper located on the path. The control system is in communication with the motor and is configured to direct the motor to cause the paper to shift in either direction along the path between the spools.

Abstract: A coating and pressware forming system comprising a coating system and a pressware forming system in-line with the coating system. The coating system includes a supply roll carrier and rollers configured for guiding and unwinding the paperboard material from a spool such that the paper traverses a path to the pressware forming system. The coating system also includes a waterfall dispenser fixed above the path the paper traverses for evenly applying liquid coating to the paperboard material. The waterfall dispenser includes a pressure chamber fluidly coupled with the source of liquid coating and having a gap through which the liquid coating is forced to flow evenly across a width of the paperboard material. The coating system may also include air nozzles for drying the coating on the paperboard material. Following this drying, the coating system may guide the coated paperboard material directly to the pressware forming system.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A pressware extractor assembly includes an elongated transport rail, a first car, a second car, and a powered drive mechanism. The first car includes a first car frame and a plurality of extractor elements operable to releasably hold respective products. The second car is slidably supported by the transport rail to slide laterally relative to the transport rail along the lateral rail axis, with the first car being supported to slide laterally with the second car. The powered drive mechanism shiftably supports the first car relative to the second car for vertical movement of the extractor elements relative to the mold assembly. The powered drive mechanism is configured to shift the first car between a lowered position, and a raised position, in which the products are lifted by the extractor elements.

Abstract: An apparatus for unwinding a roll of material includes an unwinding roller, an idle roller, and a motor. The unwinding roller is for supporting the roll of material. The idle roller is spaced apart from the unwinding roller so that the roll of material can be supported on the idle roller and the unwinding roller. The motor is in mechanical communication with the unwinding roller and is configured to axially rotate the unwinding roller.

Abstract: An apparatus for unwinding a roll of material includes an unwinding roller, an idle roller, and a motor. The unwinding roller is for supporting the roll of material. The idle roller is spaced apart from the unwinding roller so that the roll of material can be supported on the idle roller and the unwinding roller. The motor is in mechanical communication with the unwinding roller and is configured to axially rotate the unwinding roller.

Abstract: A pressware extractor assembly includes an elongated transport rail, a first car, a second car, and a powered drive mechanism. The first car includes a first car frame and a plurality of extractor elements operable to releasably hold respective products. The second car is slidably supported by the transport rail to slide laterally relative to the transport rail along the lateral rail axis, with the first car being supported to slide laterally with the second car. The powered drive mechanism shiftably supports the first car relative to the second car for vertical movement of the extractor elements relative to the mold assembly. The powered drive mechanism is configured to shift the first car between a lowered position, and a raised position, in which the products are lifted by the extractor elements.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A method and system for calculating the free energy difference between a target state and a reference state. The method includes determining one or more intermediate states using a coupling parameter, performing molecular simulations to obtain ensembles of micro-states for each of the system states, and calculating the free energy difference by an analysis of the ensembles of micro-states of the system states. The method can be particularly suited for calculating physical or non-physical transformation of molecular systems such as ring-opening, ring-closing, and other transformations involving bond breaking and/or formation. A soft bond potential dependent on a bond stretching component of the coupling parameter and different from the conventional harmonic potential is used in the molecular simulations of the system states for the bond being broken or formed during the transformation.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A method and system for calculating the free energy difference between a target state and a reference state. The method includes determining one or more intermediate states using a coupling parameter, performing molecular simulations to obtain ensembles of micro-states for each of the system states, and calculating the free energy difference by an analysis of the ensembles of micro-states of the system states. The method can be particularly suited for calculating physical or non-physical transformation of molecular systems such as ring-opening, ring-closing, and other transformations involving bond breaking and/or formation. A soft bond potential dependent on a bond stretching component of the coupling parameter and different from the conventional harmonic potential is used in the molecular simulations of the system states for the bond being broken or formed during the transformation.

Abstract: A system for forming a pressware product comprises rollers, a scoring tool, a scoring station actuator, a forming tool, and a forming station actuator. The rollers pull the web along a path having an angle. The scoring tool receives the material from the rollers and includes a vertically shiftable scoring punch with an edge that extends about an outline of the pressware product and a striker plate. The scoring station actuator shifts the scoring tool to form a slot in the web. The forming tool receives the scored web and includes a vertically shiftable positive mold assembly and negative mold assembly. The forming station actuator shifts the positive mold assembly to press against the web and form the pressware product.

Abstract: A method and system for calculating the free energy difference between a target state and a reference state. The method includes determining one or more intermediate states using a coupling parameter, performing molecular simulations to obtain ensembles of micro-states for each of the system states, and calculating the free energy difference by an analysis of the ensembles of micro-states of the system states. The method can be particularly suited for calculating physical or non-physical transformation of molecular systems such as ring-opening, ring-closing, and other transformations involving bond breaking and/or formation. A soft bond potential dependent on a bond stretching component of the coupling parameter and different from the conventional harmonic potential is used in the molecular simulations of the system states for the bond being broken or formed during the transformation.

Abstract: A method for computing free energy difference between a reference molecule and a target molecule. The target molecule has the common set of atoms PAB and a set of atoms PB. The method includes applying a potential to restrain an interaction of the additional atomic component from the set of atoms PB with the common set of atoms PAB in the initial state. The method includes determining one or more transition states along a transformation path between the initial state and target state. The method includes scaling the restrain potential correspondingly along the transformation path until the potential becomes zero when a corresponding end state is reached, and calculating the free energy difference between the reference molecule and the target molecule using a value obtained along the transformation path from the initial state to the target state.

Abstract: Methods of calculating a free energy of solubility for a compound in a solvent by computer operations include the following steps: (i) establishing, using a computer model, an initial state for a system including an aggregate of multiple molecules of the compound in a solvent; (ii) establishing, using the computer model, a final state of the system including a single molecule from the aggregate fully solvated in the solvent and separate from a transformed aggregate; (iii) transforming, using the computer model, the system from the initial state to the final state, via removing a first molecule of the compound from the aggregate to form the transformed aggregate and replacing the first molecule with solvent at the site of the first molecule; and (iv) calculating the free energy of the transformation between the initial and the final states, which determines the free energy of solubility for the compound.

Abstract: Methods of calculating a free energy of solubility for a compound in a solvent by computer operations include the following steps: (i) establishing, using a computer model, an initial state for a system including an aggregate of multiple molecules of the compound in a solvent; (ii) establishing, using the computer model, a final state of the system including a single molecule from the aggregate fully solvated in the solvent and separate from a transformed aggregate; (iii) transforming, using the computer model, the system from the initial state to the final state, via removing a first molecule of the compound from the aggregate to form the transformed aggregate and replacing the first molecule with solvent at the site of the first molecule; and (iv) calculating the free energy of the transformation between the initial and the final states, which determines the free energy of solubility for the compound.