Methods and systems for deriving chemical compositions that are present in a chemical product and for determining compliance of chemical products with government regulations

• US 20050197789A1
• Filed: 10/06/2004
• Published: 09/08/2005
• Est. Priority Date: 10/06/2003
• Status: Active Grant

• Current Assignee: Eastman Chemical Company
• Original Assignee: Eastman Chemical Company
• Inventors: Hickman, D. Russell, Niermann, Craig Andrew, Swenson, Bryan Robert, Cox, Abraham James, Ankabrandt, Steven James, Rajiah, Paul Jayaraj
• Granted Patent: US 7,340,350 B2
• Time in Patent Office: Days
• US Class Current: 702/23
• CPC Class Codes: G06Q 10/06 Resources, workflows, human or project management; Enterprise or organisation planning; Enterprise or organisation modelling

Abstract

The present invention relates to methods, systems, and computer readable media for deriving chemical compositions that are present in a chemical product to be manufactured and for determining whether the chemical product complies with government regulations. A method can comprise obtaining a bill of material comprising components to manufacture the chemical product; ascertaining whether any of the components comprises subcomponents; replacing any components comprising subcomponents with the subcomponents in a revised bill of material; and deriving from the revised bill of material the chemical compositions present in the manufactured chemical product. In some embodiments, the derived chemical compositions can be compared to a stored set of government regulatory standards relating to the chemical compositions to determine compliance.

Claims

1. A method of deriving chemical compositions that are present in a chemical product to be manufactured, comprising the following steps that are performed in a data processing system:

obtaining a bill of material comprising components to manufacture the chemical product;

ascertaining whether any of the components comprises subcomponents;

replacing any components comprising subcomponents with the subcomponents in a revised bill of material; and

deriving from the revised bill of material the chemical compositions present in the manufactured chemical product.

2. The method of claim 1, wherein deriving from the revised bill of material the chemical compositions present in the manufactured chemical product comprises determining the chemical compositions from the components and the subcomponents.

3. The method of claim 2, wherein determining the chemical compositions from the components and the subcomponents comprises determining at least one product of a reaction between at least two of the components and subcomponents.

4. The method of claim 2, wherein determining the at least one reaction product comprises comparing the at least two components and subcomponents and the concentrations of components and subcomponents with a plurality of reaction products, wherein each reaction product has at least two components and subcomponents and concentration ranges associated with it.

5. The method of claim 4, wherein each reaction product has a unique combination of components, subcomponents, and concentration ranges associated with it.

6. The method of claim 3, further comprising generating a regulatory bill of material comprising the reaction product and any unreacted components and subcomponents.

7. The method of claim 6, wherein the unreacted components and subcomponents comprise at least one of additives and solvents.

8. The method of claim 3, wherein determining at least one product of a reaction between at least two of the components and subcomponents further comprises determining a quantity of the at least one reaction product.

9. The method of claim 8, wherein determining a quantity of the at least one reaction product comprises deducting a reaction loss quantity from a total quantity of reacted components and subcomponents.

10. The method of claim 9, wherein the reaction loss quantity comprises a quantity of a reaction byproduct that does not comprise a portion of the manufactured chemical product.

11. The method of claim 2, wherein determining the chemical compositions from the components and the subcomponents comprises determining at least one polymer based on polymerization of at least one component or subcomponent.

12. The method of claim 11, wherein the at least one component or subcomponent comprises a monomer.

13. The method of claim 11, wherein determining the at least one polymer comprises comparing the at least one component or subcomponent with a plurality of polymers, wherein each polymer has at least one component or subcomponent associated with it.

14. The method of claim 13, wherein each polymer has a unique component, subcomponent, or combination of components and subcomponents associated with it.

15. The method of claim 11, further comprising generating a regulatory bill of material comprising the polymer and any unpolymerized components and subcomponents.

16. The method of claim 15, wherein the unpolymerized components and subcomponents comprise at least one of additives and solvents.

17. The method of claim 11, wherein determining the at least one polymer further comprises determining a quantity of the at least one polymer.

18. The method of claim 17, wherein determining a quantity of the at least one polymer comprises deducting a polymer reaction loss quantity from a total quantity of polymerized components and subcomponents.

19. The method of claim 9, wherein the polymer reaction loss quantity comprises a quantity of a polymerization byproduct that does not comprise a portion of the manufactured chemical product.

20. The method of claim 1, further comprising combining any components or subcomponents that are the same chemical.

21. The method of claim 20, wherein each component and subcomponent has a quantity associated with it and wherein combining any components or subcomponents comprises adding the quantities of the combined components and subcomponents.

22. The method of claim 1, further comprising comparing the derived chemical compositions to a stored set of government regulatory standards relating to the chemical compositions to determine compliance.

23. The method of claim 1, wherein comparing the derived chemical compositions to a stored set of government regulatory standards comprises:

comparing the derived chemical compositions to a stored set of government regulatory standards governing the manufacturing location for the manufactured chemical product; and

comparing the derived chemical compositions to a stored set of government regulatory standards governing the destination location for the manufactured chemical product.

24. The method of claim 1, further comprising proposing modifications to noncomplying chemical products so that the chemical product to be manufactured becomes complying.

25. The method of claim 1, wherein each of the components and subcomponents comprise an additive, a base, a catalyst, a monomer, a reactant, or a solvent.

26. The method of claim 1, wherein at least one of the components or subcomponents comprises a chemical intermediary or a scrap material.

27. The method of claim 1, wherein at least one of the components comprises a catalyst, a solvent that does not become a part of the manufactured chemical product, or a packaging material.

28. The method of claim 27, further comprising removing any catalyst, any solvent that does not become a part of the chemical product, and any packaging material from the revised bill of material prior to deriving the chemical compositions present in the manufactured chemical product.

29. The method of claim 1, wherein at least one of the components or subcomponents has a bill of material associated with it.

30. A method of deriving chemical compositions that are present in a chemical product to be manufactured, comprising the following steps that are performed in a data processing system:

obtaining a bill of material comprising chemical components of the chemical product to be manufactured;

ascertaining whether any of the chemical components comprise subcomponents;

replacing the chemical components comprising subcomponents with the subcomponents in a revised bill of material;

assigning a component class to each component and subcomponent, the component classes comprising at least one of bases, additives, reactants, and monomers; and

deriving from the revised bill of material the chemical compositions present in the manufactured chemical product.

31. The method of claim 30, further comprising verifying that the revised bill of material does not comprise a predetermined combination of component classes.

32. The method of claim 31, further comprising generating an error when the revised bill of material comprises a predetermined combination of component classes.

33. The method of claim 32, wherein the predetermined combination comprises at least one monomer and at least one reactant.

34. The method of claim 32, wherein the predetermined combination comprises at least one reactant and at least one base.

35. The method of claim 32, wherein the predetermined combination comprises at least one monomer and at least one base.

36. The method of claim 30, wherein each component and subcomponent in the revised bill of material has a quantity and a unit of measure associated with it, and further comprising converting the units of measures of each component and subcomponent to a base unit of measure.

37. The method of claim 30, wherein deriving from the revised bill of material the chemical compositions present in the manufactured chemical product comprises determining the chemical compositions from the components, the subcomponents, and the component classes.

38. The method of claim 37, wherein at least two of the components and subcomponents have a component class of reactant and wherein determining the chemical compositions comprises determining at least one product of a reaction between at least two reactants.

39. The method of claim 38, wherein each of the at least two reactants has a concentration associated with it.

40. The method of claim 39, wherein determining at least one product of a reaction between at least two reactants comprises comparing the at least two reactants and the concentrations of the at least two reactants with a plurality of reaction products, wherein each reaction product has a plurality of reactants and reactant concentration ranges associated with it.

41. The method of claim 40, wherein each reaction product has a unique combination of reactants and reactant concentration ranges associated with it.

42. The method of claim 40, wherein the concentration of each reactant is the quotient of the quantity of the reactant divided by the total quantity of all reactants.

43. The method of claim 39, wherein each reaction product has a unique combination of reactants and reactant concentration ranges associated with it.

44. The method of claim 38, wherein determining at least one product of a reaction between the at least two reactants comprises determining a quantity of the at least one reaction product.

45. The method of claim 44, wherein determining a quantity of the at least one reaction product comprises deducting a reaction loss quantity from a total quantity of reactants.

46. The method of claim 45, wherein the reaction loss quantity comprises a quantity of a reaction byproduct that does not comprise a portion of the manufactured chemical product.

47. The method of claim 46, wherein the component classes further comprise reaction losses, wherein the bill of material comprises the reaction byproduct, and wherein the reaction byproduct is associated with the reaction loss class.

48. The method of claim 38, further comprising generating a regulatory bill of material comprising the reaction product and any unreacted components and subcomponents.

49. The method of claim 48, wherein the unreacted components and subcomponents comprise at least one of additives and solvents.

50. The method of claim 37, wherein at least one of the components and subcomponents has a component class of monomer, and wherein determining the chemical compositions comprises determining at least one polymer based on polymerization of the at least one monomer.

51. The method of claim 50, wherein determining the at least one polymer comprises comparing the at least one monomer with a plurality of polymers, wherein each polymer has at least one monomer associated with it.

52. The method of claim 51, wherein each polymer has a unique monomer or combination of monomers associated with it.

53. The method of claim 50, wherein determining the at least one polymer further comprises determining a quantity of the at least one polymer.

54. The method of claim 53, wherein determining a quantity of the at least one polymer comprises deducting a polymer reaction loss quantity from a total quantity of polymerized components and subcomponents.

55. The method of claim 54, wherein the polymer reaction loss quantity comprises a quantity of a polymerization byproduct that does not comprise a portion of the manufactured chemical product.

56. The method of claim 55, wherein the component classes further comprise polymer reaction losses, wherein the bill of material comprises the polymerization byproduct, and wherein the polymerization byproduct is associated with the polymer reaction loss class.

57. The method of claim 50, further comprising generating a regulatory bill of material comprising the at least one polymer and any unpolymerized components and subcomponents.

58. The method of claim 57, wherein the unpolymerized components and subcomponents comprise at least one of additives and solvents.

59. The method of claim 37, wherein the component classes further comprise at least one of initators and identity monomers, wherein at least one of the components and subcomponents has a component class of monomers or identity monomers, and wherein determining the chemical compositions comprises determining at least one polymer based on polymerization of the at least one monomer or identity monomer.

60. The method of claim 59, wherein determining at least one polymer comprises comparing the at least one monomer or identity monomer and any initiators with a plurality of polymers, wherein each polymer has at least one combination of monomers, identity monomers, and initiators associated with it.

61. The method of claim 60, wherein each polymer has a unique combination of monomers, identity monomers, and initiators associated with it.

62. The method of claim 59, further comprising generating a regulatory bill of material comprising the at least one polymer and any unpolymerized components and subcomponents.

63. The method of claim 62, wherein the unpolymerized components and subcomponents comprise at least one of additives and solvents.

64. The method of claim 30, wherein at least one of the components or subcomponents comprises a chemical intermediary or a scrap material.

65. The method of claim 30, wherein the component classes further comprise at least one of catalysts, solvents that do not become a part of the manufactured chemical product, and packaging materials.

66. The method of claim 65, further comprising removing any components or subcomponents having a component class of catalyst, solvent that does not become a part of the chemical product, or packaging material.

67. The method of claim 30, wherein at least one of the components or subcomponents has a bill of material associated with it.

68. A system for deriving chemical compositions that are present in a chemical product to be manufactured, comprising:

means for obtaining a bill of material comprising components to manufacture the chemical product;

means for ascertaining whether any of the components comprises subcomponents;

means for replacing any components comprising subcomponents with the subcomponents in a revised bill of material; and

means for deriving from the revised bill of material the chemical compositions present in the manufactured chemical product.

69. A system for deriving chemical compositions that are present in a chemical product to be manufactured, comprising:

means for obtaining a bill of material comprising chemical components of the chemical product to be manufactured;

means for ascertaining whether any of the chemical components comprise subcomponents;

means for replacing the chemical components comprising subcomponents with the subcomponents in a revised bill of material;

means for assigning a component class to each component and subcomponent, the component classes comprising at least one of bases, additives, reactants, and monomers; and

means for deriving from the revised bill of material the chemical compositions present in the manufactured chemical product.

70. A computer-readable medium containing computer-executable instructions for processing data comprising:

computer program code for obtaining a bill of material comprising components to manufacture the chemical product;

computer program code for ascertaining whether any of the components comprises subcomponents;

computer program code for replacing any components comprising subcomponents with the subcomponents in a revised bill of material; and

computer program code for deriving from the revised bill of material the chemical compositions present in the manufactured chemical product.

71. A computer-readable medium containing computer-executable instructions for processing data:

computer program code for obtaining a bill of material comprising chemical components of the chemical product to be manufactured;

computer program code for ascertaining whether any of the chemical components comprise subcomponents;

computer program code for replacing the chemical components comprising subcomponents with the subcomponents in a revised bill of material;

computer program code for assigning a component class to each component and subcomponent, the component classes comprising at least one of bases, additives, reactants, and monomers; and

computer program code for deriving from the revised bill of material the chemical compositions present in the manufactured chemical product.