# US 2014/0207387 A1 · Method of analyzing numeric model for metal hydride tank

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- Number: US 2014/0207387 A1
- Document ID: US20140207387A1
- Status: Published application
- Kind: A1
- Application number: 14/075,972
- Filed: 2013-11-08
- Published: 2014-07-24
- Earliest claimed: 2013-01-24
- Assignees: Korea Institute of Geoscience and Mineral Resources
- Applicants: Korea Institute of Geoscience and Mineral Resources
- Inventors: Sung-Wook CHO; Han-Jung KWON; Jeong-Hyun YOO; Ji-Woong KIM; Kyung-Woo YI; Sang-Kun O
- Web page: https://patentgrep.com/patent/US20140207387A1

## CPC

- G16C 20/10: Analysis or design of chemical reactions, syntheses or processes
- G16C: COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE

## Abstract

A method of analyzing a numeric model for a metal hydride tank, which calculates the temperature change and the change of a reaction rate and the hydrogen concentration in the alloy resulting from a hydrogen reaction based on various user conditions with respect to metal hydride (MH) alloy tanks having various shapes when MH alloy tanks are actually used. The method includes (a) inputting a temperature (T), a real reaction flow rate (QR), and an initial data value of hydrogen concentration (C) for each cell of a model, (b) calculating a possible reaction rate (RP) depending on the temperature (T) and the hydrogen concentration (C) in the metal hydride alloy with respect to each cell, (c) calculating a possible flow rate (QP) with respect to an entire MH alloy region, and (d) calculating a k between the real reaction flow rate (QR) and the possible reaction flow rate (QP).

## Claims

### Claim 1

A method of analyzing a numeric model for a metal hydride tank, the method comprising:
(a) inputting a temperature (T), a real reaction flow rate (QR) restricted through user specification, and an initial data value of hydrogen concentration (C) in a metal hydride alloy for each cell of a model;
(b) calculating a possible reaction rate (RP) depending on the temperature (T) and the hydrogen concentration (C) in the metal hydride alloy for each cell of the model;
(c) calculating a possible reaction flow rate (QP) for the entire MH alloy region of the model;
(d) calculating a k (rate factor) value which is a ratio between the real reaction flow rate (QR) and the possible reaction flow rate (QP);
(e) calculating a new real reaction flow rate (QR) through QR=kQP;
(f) calculating a real reaction rate (RR) in each cell through RR=kRP;
(g) calculating hydrogen concentration (C) in the MH alloy;
(h) calculating change of the temperature (T) resulting from heat of reaction depending on the real reaction rate (RR); and
(i) repeatedly performing calculating of step (b) to step (h) according to a period and a time interval required to be analyzed.

### Claim 2 (depends on 1)

The method of claim 1, wherein, in step (b), the possible reaction rate (RP) is calculated Equation 1,
RP=f(T,C), Equation 1
in which, T represents the temperature of the MH alloy, C represents the hydrogen concentration in the MH alloy.

### Claim 3 (depends on 1)

The method of claim 1, wherein, in step (c), the possible reaction flow rate (QP) is calculated through Equation 2,
Q
p
=
Σ

(
Rp
,
i
×
Vi
)
Σ


Vi
,
Equation


2
in which, the i represents natural number and each cell, and Vi represents the volume of the i-th cell.

### Claim 4 (depends on 1)

The method of claim 1, wherein, in step (d), the k (rate factor) value is calculated through Equation 3,
k=QR/QP, Equation 3
in which, the k value represents a ratio between the real reaction flow rate (QR) and the possible reaction flow rate (QP).

### Claim 5 (depends on 4)

The method of claim 4, wherein the k value is used without change if the k value is smaller than 1, and the k value is set to 1 if the k value is equal to or greater than 1, such that the real reaction flow rate (QR) is equal to the possible reaction flow rate (QP).

### Claim 6 (depends on 1)

The method of claim 1, wherein, in step (e), using the k (rate factor) value, the real reaction flow rate (QR) value is calculated through Equation 4,
QR=k×QP. Equation 4

### Claim 7 (depends on 4)

The method of claim 4, wherein, in step (e), using the k (rate factor) value, the real reaction flow rate (QR) value is calculated through Equation 4,
QR=k×QP. Equation 4

### Claim 8 (depends on 1)

The method of claim 1, wherein, in step (f), using the k (rate factor) value, the real reaction rate (RR) value is calculated for each cell through Equation 5,
RR=k×RP. Equation 5

### Claim 9 (depends on 4)

The method of claim 4, wherein, in step (f), using the k (rate factor) value, the real reaction rate (RR) value is calculated for each cell through Equation 5,
RR=k×RP. Equation 5

### Claim 10 (depends on 1)

The method of claim 1, wherein, in step (g), change of the hydrogen concentration in the MH alloy is calculated through Equation 6-1 or 6-2,
Ci+1=Ci−RR(desorption of hydrogen),or Equation 6-1
Ci+1=Ci+RR(absorption of hydrogen). Equation 6-2