Method and system of visualized dynamic simulation of formation of chemical object by chemical element(s), and application program product

Abstract

A method for visually simulating the formation of chemicals from chemical elements includes: obtaining a model selection from a user interface, the model selection corresponding to a target chemical having an atom in a chemical formula; searching for a corresponding simulation model from at least one database based on the model selection; and driving the simulation model to present an image cube as a virtual model image of the target chemical on the user interface. Each surface of the image cube has multiple display positions arranged in a square matrix to dynamically demonstrate the motion state of the electrons of the atom. This provides a visual simulation result.

Claims

1. A method for visually simulating the formation of a chemical compound from chemical elements, comprising the following steps: (A) obtaining a model selection from a user interface via a simulation engine, the model selection corresponding to a target chemical compound having an atom in a chemical formula; (B) searching for a corresponding simulation model from at least one database based on the model selection via the simulation engine, the simulation model being based on density functional theory; and (C) driving the simulation model via the simulation engine to present an image cube as a virtual model image of the target chemical compound on the user interface; wherein... The image cube represents the atom, and each of the six surfaces of the image cube has multiple demonstration positions arranged in a square matrix to dynamically demonstrate the movement state of the atom's electrons; and the square matrix corresponding to the image cube depends on the electron distribution of the atom represented by the image cube.

2. A method for visually and dynamically simulating the formation of a chemical compound from chemical elements, comprising the following steps: (A) obtaining a model selection from a user interface via a simulation engine, the model selection corresponding to a target chemical compound having a chemical formula containing multiple atoms of the same type; (B) searching for a corresponding simulation model from at least one database based on the model selection via the simulation engine, the simulation model being based on density functional theory; (C) driving the simulation model via the simulation engine to present multiple image cubes on the user interface; and (D) driving the simulation model via the simulation engine to change the image cubes from an unbound state to a bound state on the user interface, thereby forming a virtual model image of the target chemical compound; wherein... The number of image cubes is determined by the total number of atoms in the chemical formula. Each image cube represents one of these atoms, and each of the six surfaces of the image cube has multiple display positions arranged in the same square matrix to dynamically demonstrate the electron motion state of the atom represented by the image cube. The square matrix corresponding to the image cube depends on the electron distribution of the atom represented by the image cube. In the unbonded state, the image cubes are separated from each other to visually demonstrate the state of the atoms before bonding. In the bonded state, the image cubes are connected to visually demonstrate the state of the atoms after bonding.

3. A method for visually and dynamically simulating the formation of a chemical compound from chemical elements, comprising the following steps: (A) obtaining a model selection from a user interface via a simulation engine, the model selection corresponding to a target chemical compound having a chemical formula containing multiple atoms, the atoms including at least a first atom and a second atom of different types; (B) searching for a corresponding simulation model from at least one database based on the model selection via the simulation engine, the simulation model being based on density functional theory; (C) driving the simulation model via the simulation engine to present multiple image cubes on the user interface; and (D) driving the simulation model via the simulation engine to change the image cubes from an unbound state to a bound state on the user interface, thereby forming a virtual model image of the target chemical compound; wherein... The number of image cubes is determined by the total number of atoms in the chemical formula. Each image cube represents one of these atoms, and each of the six surfaces of the image cube has multiple demonstration positions arranged in a square matrix to dynamically demonstrate the electron motion state of the atom represented by the image cube. The square matrix corresponding to the image cube depends on the electron distribution of the atom represented by the image cube. The square matrix corresponding to the image cube depends on the type of atom represented by the image cube. In the unbonded state, the image cubes are separated from each other to visually demonstrate the state of the atoms before bonding. In the bonded state, the image cubes are connected to visually demonstrate the state of the atoms after bonding.

4. The method for visually simulating the formation of chemicals from chemical elements according to claim 2 or 3, wherein the image cubes are arranged and connected according to a chemical structural formula of the target chemical.

5. A method for visually and dynamically simulating the formation of chemicals from chemical elements according to claim 2 or 3, wherein during the process of changing from the unbound state to the bound state in step (D), the simulation engine drives the simulation model to rotate and connect two of the image cubes relative to each other to dynamically demonstrate the bonding process of atoms represented by the two image cubes.

6. A method for visually and dynamically simulating the formation of chemicals from chemical elements, as described in claim 2 or 3, wherein, The matrix of the blocks corresponding to one of the image cubes also depends on the type of another atom that the atom represented by the image cube is to combine with.

7. A method for visually simulating the formation of chemicals from chemical elements according to any one of claims 1 to 3, wherein in step (D), the motion state of the outermost electrons of the atoms represented by the image cube is dynamically demonstrated.

8. A system for visually and dynamically simulating the formation of chemicals from chemical elements, comprising: a user interface, a simulation engine, and at least one database, the simulation engine being able to contact the user interface and the at least one database to perform a method for visually and dynamically simulating the formation of chemicals from chemical elements as described in any one of claims 1 to 3.

9. An application product suitable for installation on a computer device and for execution by the computer device to perform a method for visually simulating the formation of chemicals from chemical elements as described in any one of claims 1 to 3.

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