Data processing: structural design – modeling – simulation – and em – Simulating nonelectrical device or system – Chemical
Reexamination Certificate
1998-07-06
2004-10-26
Marschel, Ardin H. (Department: 1631)
Data processing: structural design, modeling, simulation, and em
Simulating nonelectrical device or system
Chemical
C702S019000, C703S002000, C703S006000, C703S007000, C703S009000, C703S011000
Reexamination Certificate
active
06810371
ABSTRACT:
TECHNICAL FIELD
The present invention relates to a method of simulating, when a chemical containing a pesticidal compound is used indoors, an indoor behavior of the pesticidal compound including an estimation method of estimating the indoor behavior of the compound and a safety evaluating method of evaluating its safety in human bodies by using the estimation method; and, in particular, to a method of simulating an indoor behavior of a pesticidal compound in the case where a chemical containing the pesticidal compound is residually sprayed, sprayed in an indoor space, heated to vaporize, or sprayed over the whole floor area.
BACKGROUND ART
Conventionally known is a fugaciousness (hereinafter referred to as Fugacity) model for simulating a behavior of a chemical material in global environment. The above-mentioned fugacity model utilizes Fugacity whose unit is an external force by which the chemical material escapes from one medium to another medium, i.e., pressure. For example, when the chemical material concentration differs between two media A and B, concentrations in the respective media are expressed by:
N
A
/V
A
=f
A
Z
A
N
B
/V
B
=f
B
Z
B
wherein N is chemical mass, V is volume of medium, f is Fugacity, and Z is Fugacity capacity of medium.
Here, while the mass N changes over time according to transference and degradation of the chemical material between the media A and B; assuming that volume V and Fugacity capacity Z are constant, the above-mentioned two expressions are represented as:
(
df
A
/dt
)
V
A
Z
A
=dN
A
/dt
=−(Degradation)
A
±(Transference)
AB
(
df
B
/dt
)
V
B
Z
B
=dN
B
/dt
=−(Degradation)
B
±(Transference)
AB
When Degradation and Transference in these two differential equations are given, unknown parameters f
A
and f
B
can be determined by calculation. When these parameters are respectively multiplied by Fugacity capacity Z
A
and Z
B
, the chemical material concentrations in the respective media in a specific period of time can be simulated.
As an apparatus for simulating a behavior of a chemical material, Japanese Patent Application Laid-Open No. 64-88811 discloses a configuration of closed-space simulator which can perform simulation in response to any capacity of closed space without actually constructing a closed space when evaluating temperature change of a specific gas component such as carbonic acid gas.
As a configuration for evaluating influence of a harmful material on human bodies, Japanese Patent Application Laid-Open No. 3-89146 discloses a configuration of percutaneous absorption evaluation apparatus employing a vertical type diffusion cell which is a system closer to a clinical state than is a parallel type cell, thereby being capable of simultaneously measuring, in real time, the process of a chemical being emitted from its base on the skin by optoacoustic measurement and the process of the chemical infiltrating through the skin by absorptiometry.
Also, Japanese Patent Application Laid-Open No. 7-218496 discloses a configuration of system which uses the fact that a dissolution parameter inherently existing in a chemical material and a logarithmic value of median lethal dose of the chemical material with respect to a mammal are in a specific correlation, estimating acute toxicity of the chemical material with respect to the mammal.
Further, simulations of indoor behavior of a pesticidal compound when insecticides are sprayed in an indoor space, electrically heated to vaporize in a room, and sprayed over the whole floor surface are respectively disclosed in Y. Matoba et al., “A SIMULATION OF INSECTICIDES IN INDOOR AEROSOL SPACE SPRAYING,”
Chemosphere,
Vol.26, No.6, pp. 1167-1186, 1993; Y. Matoba et al., “INDOOR SIMULATION OF INSECTICIDES SUPPLIED WITH AN ELECTRIC VAPORIZER BY THE FUGACITY MODEL,”
Chemosphere,
Vol.28, No.4, pp.767-786, 1994; and Y. Matoba et al., “INDOOR SIMULATION OF INSECTICIDES IN BROADCAST SPRAYING,”
Chemosphere,
Vol.30, No.2, pp. 345-365, 1995.
DISCLOSURE OF INVENTION
The above-mentioned simulation models, however, do not mention how to solve differential equations, and minute time units set when solving the differential equations are assumed to be constant. Theoretically, the smaller is the minute time unit, the longer becomes the calculation time; whereas the solution would not converge when the minute time unit is large. Accordingly, in the case where a differential equation containing a parameter which changes over time is to be solved, when the minute time unit is set to a constant value so that the solution does not diverge, there is a problem that the processing speed of a computer must be enhanced.
Also, the above-mentioned simulation models fail to mention any security with respect to human bodies.
In order to solve the above-mentioned conventional problems, it is an object of the present invention to provide a method of simulating an indoor behavior of a pesticidal compound, which can process simultaneous differential equations accurately in a short time by automatically setting a minute time unit.
In order to achieve the above-mentioned object, the method of simulating an indoor behavior of a pesticidal compound in accordance with the present invention comprises a step of dividing an indoor environment into predetermined media (constituents) and forming a differential equation concerning a fugacity of the compound in each of the media; a step of determining the fugacity of the compound in each of the media from the differential equation; a step of determining the indoor behavior of the compound from the fugacity of the compound in each of the media; and a step of changing, in response to a fluctuation in mass balance of the compound indoors, a minute time unit used when solving the differential equation.
As the indoor environment is divided into predetermined media, and exchanges of the chemical compound between the media and the like are taken into account, simulation results close to the actual behavior of the compound can be obtained, while the minute time unit can be set automatically in response to fluctuation in mass balance when solving simultaneous differential equations including a parameter which changes over time. Accordingly, when a computer processes the above-mentioned differential equation, accurate solutions can be obtained in a short time.
Preferably, the method of simulating an indoor behavior of a pesticidal compound in accordance with the present invention further comprises a step of evaluating safety of the compound with respect to a human body according to the indoor behavior of the compound.
As a consequence of this configuration, the safety of the pesticidal compound with respect to the human body can be evaluated accurately in a short time. Accordingly, when formulating a chemical such as insecticide including the above-mentioned compound, simulation can be easily repeated while changing conditions, thereby making it easier to formulate a chemical having a high safety conforming to the aimed object.
Further, the method of simulating an indoor behavior of a pesticidal compound in accordance with the present invention may be such that the above-mentioned compound is introduced into an indoor space as a solution containing the compound is residually sprayed; whereas the above-mentioned media are a spraying site, suspended particles which are divided into at least one kind according to size, indoor air, a floor, a wall, and a ceiling.
Preferably, in this case, the differential equation at the spraying site is a differential equation stating a relationship among temporal change of fugacity of the compound at the spraying site, temporal change in volume of the spraying site, amount of attachment of the suspended particles to the spraying site, amount of transference of the compound between the spraying site and another medium, and change in amount of degradation of the compound at the spraying site; the differential equation in the suspended particles is a differential equation stating a relationship among tempora
Matoba Yoshihide
Matsuo Masatoshi
Fitch Even Tabin & Flannery
Marschel Ardin H.
Sumitomo Chemical Company Limited
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