Information processing method, reaction temperature calculation device, reaction temperature calculation program, and non-transitory computer-readable recording medium

Abstract

To provide, regarding hydrotreating reaction of raw oil including atmospheric distillation residue gas oil, an information processing method capable of estimating a reaction temperature required to achieve a predetermined reaction condition, a reaction temperature calculation device capable of estimating the reaction temperature, a reaction temperature calculation program for forcing a computer to function as the reaction temperature calculation device, and a non-temporary readable recording medium for the computer that stores the program.SOLUTION: An information processing method includes: an information acquisition step to acquire information on raw oil including atmospheric distillation residue gas oil when a predetermined time has passed since start of reaction, information on product oil and information on an operation condition; a deterioration level calculation step to calculate the deterioration level of a catalyst by a deterioration function on the basis of the acquired information; and a reaction temperature calculation step to calculate a reaction temperature required to satisfy the information on raw oil, the information on product oil, and the operation condition.SELECTED DRAWING: None

Description

[Technical Field]

[0001] The present invention relates to an information processing method, a reaction temperature calculation device, a reaction temperature calculation program, and a non-transitory computer-readable recording medium. [Background technology]

[0002] Diesel base stocks are produced by hydrotreating atmospheric distillation gas oil obtained by atmospheric distillation of crude oil, which is then contacted with a hydrotreating catalyst in the presence of hydrogen.

[0003] In hydrotreating, coke is produced as a by-product, and as the coke accumulates on the hydrotreating catalyst, its activity decreases over time. Therefore, in order to maintain the sulfur content in the product oil below a certain level, the reaction temperature must be increased to counteract the decrease in activity of the hydrotreating catalyst.

[0004] When setting this reaction temperature, if the reaction temperature is too high, the catalyst activity will decrease, making it impossible to achieve the specified operation time (number of days), resulting in a decrease in productivity.On the other hand, if the reaction temperature is too low, the catalyst activity will decrease, resulting in excess capacity before the specified operation time, and if this excess capacity cannot be utilized, productivity will decrease.Therefore, a method for accurately estimating the specified reaction conditions (temperature, throughput) is desired.

[0005] In the field of crude oil refining, various methods for accurately estimating the optimal reaction temperature have been studied. For example, Patent Document 1 discloses a method for estimating the reaction temperature required after switching from information on the properties of the atmospheric distillation light oil and operating conditions before switching to a feedstock containing atmospheric distillation light oil with different properties in the hydrotreatment of the feedstock containing atmospheric distillation light oil, and information on the properties of the atmospheric distillation light oil after switching and operating conditions other than the reaction temperature. [Prior art documents] [Patent documents]

[0006] [Patent Document 1] Japanese Patent Application Publication No. 10-60455 Summary of the Invention [Problem to be solved by the invention]

[0007] The method for estimating the reaction temperature described in Patent Document 1 focuses on the properties of the feedstock oil, and does not consider the activity reduction of the hydrotreating catalyst. Therefore, a method for estimating the optimal reaction temperature while taking into account the activity reduction of the hydrotreating catalyst is desired.

[0008] The present invention has been made in consideration of the above circumstances, and aims to provide an information processing method capable of estimating a reaction temperature required to achieve predetermined reaction conditions for a hydrotreating reaction of feedstock oil including atmospheric distillation light oil, a reaction temperature calculation device capable of estimating the reaction temperature, a reaction temperature calculation program for causing a computer to function as the reaction temperature calculation device, and a non-transitory computer-readable recording medium storing the program. [Means for solving the problem]

[0009] In order to solve the above problems, the present invention has the following aspects. [1] An information processing method including: an information acquisition step for acquiring information about the feedstock, information about the product oil, and information about the operating conditions after a predetermined time has elapsed since the start of the reaction, regarding the hydrotreating reaction of feedstock oil including atmospheric distillation light oil; a deterioration degree calculation step for calculating the deterioration level of the catalyst using a deterioration function based on the acquired information about the feedstock oil, information about the product oil, and information about the operating conditions; and a reaction temperature calculation step for calculating the reaction temperature required to satisfy the information about the feedstock oil, information about the product oil, and the operating conditions based on the deterioration level of the catalyst. [2] The information processing method described in [1], wherein the deterioration function is a coke deterioration function relating to the deterioration of the catalyst due to coke deposition, and is composed of an easily deactivated active species deterioration function relating to the deterioration of easily deactivated active species of the catalyst and a hardly deactivated active species deterioration function relating to the deterioration of hardly deactivated active species of the catalyst. [3] The information processing method according to [1] or [2], wherein the information about the feedstock oil includes information about the sulfur concentration in the feedstock oil, and the information about the produced oil includes information about the sulfur concentration in the produced oil. [4] The information processing method according to any one of [1] to [3], wherein the information relating to the operating conditions includes information relating to the hydrogen partial pressure, information relating to the catalyst loading amount, information relating to the feedstock oil supply amount, and information relating to the hydrogen supply amount. [5] A reaction temperature calculation device including: an acquisition unit that acquires information about the feedstock, information about the product oil, and information about the operating conditions after a predetermined time has elapsed since the start of the reaction, regarding the hydrotreating reaction of feedstock oil including atmospheric distillation light oil; and a calculation unit that calculates the degree of catalyst deterioration using a deterioration function based on the information about the feedstock oil, information about the product oil, and information about the operating conditions acquired by the acquisition unit, and calculates the reaction temperature required to satisfy the information about the feedstock oil, information about the product oil, and the operating conditions based on the calculated degree of catalyst deterioration. [6] The reaction temperature calculation device described in [5], wherein the deterioration function is a coke deterioration function relating to catalyst deterioration due to coke deposition, and is composed of an easily deactivated active species deterioration function relating to deterioration of easily deactivated active species of the catalyst and a hardly deactivated active species deterioration function relating to deterioration of hardly deactivated active species of the catalyst. [7] The reaction temperature calculation device described in [5] or [6], wherein the information about the feedstock oil includes information about the sulfur concentration in the feedstock oil, and the information about the produced oil includes information about the sulfur concentration in the produced oil. [8] The reaction temperature calculation device according to any one of [5] to [7], wherein the information on the operating conditions includes information on hydrogen partial pressure, information on catalyst loading, information on the feedstock supply rate, and information on the hydrogen supply rate. [9] A reaction temperature calculation program for causing a computer to function as the reaction temperature calculation device according to any one of [5] to [8].

[10] A non-transitory computer-readable recording medium storing the program described in [9]. [Effects of the Invention]

[0010] According to the present invention, there are provided an information processing method capable of estimating a reaction temperature required to achieve predetermined reaction conditions for a hydrotreating reaction of feedstock oil including atmospheric distillation light oil, a reaction temperature calculation device capable of estimating the reaction temperature, a reaction temperature calculation program for causing a computer to function as the reaction temperature calculation device, and a non-transitory computer-readable recording medium storing the program. [Brief explanation of the drawings]

[0011] [Figure 1] 1 is a flowchart of an information processing method according to an embodiment. [Figure 2] 1 is a flowchart of an information processing method according to an embodiment. [Figure 3] 1 is a flowchart of an information processing method according to an embodiment. [Figure 4] FIG. 1 is a configuration block diagram of a reaction temperature calculation device according to an embodiment. DETAILED DESCRIPTION OF THE INVENTION

[0012] The following describes in detail the embodiments of the present invention. However, the following description is an example of an embodiment of the present invention, and the present invention is not limited to these contents and can be modified and implemented within the scope of its gist.

[0013] <Information processing method> The information processing method of this embodiment includes an information acquisition step (S1 in FIG. 1) for acquiring information about the feedstock, information about the product oil, and information about the operating conditions after a predetermined time has elapsed since the start of the reaction, regarding the hydrotreating reaction of the feedstock containing atmospheric distillation gas oil; a deterioration degree calculation step (S2 in FIG. 1) for calculating the deterioration level of the catalyst using a deterioration function based on the acquired information about the feedstock, information about the product oil, and information about the operating conditions; and a reaction temperature calculation step (S3 in FIG. 1) for calculating the reaction temperature required to satisfy the information about the feedstock, information about the product oil, and the operating conditions based on the deterioration level of the catalyst. Each step will be described below. Note that each step shown below is executed, for example, by the reaction temperature calculation device 1 of this embodiment. For example, S1 is executed by the acquisition unit 11, and S2 and S3 are executed by the calculation unit 13 in the computer main body 12.

[0014] <Information Acquisition Steps> The information acquisition step of this embodiment is a step of acquiring information about the feedstock oil, information about the product oil, and information about the operating conditions when a predetermined time has elapsed since the start of the reaction. The predetermined time after the start of the reaction refers to, for example, any t days having elapsed since the start of the reaction. t may be an integer or a decimal; for example, if t is 0.5, it means that 12 hours have elapsed since the start of the reaction. Furthermore, the time when t days have elapsed may be in the past, present, or future from the time when the information processing method of this embodiment is implemented. For example, if the information processing method of this embodiment is implemented two days after the start of the reaction and t is 4, the reaction temperature two days later (in the future) will be estimated.

[0015] (Information about raw material oil) An example of the information about the feedstock oil is information about the composition of the feedstock oil. An example of the information about the composition of the feedstock oil is information about the sulfur concentration in the feedstock oil.

[0016] Information on the sulfur concentration in the feedstock oil can be obtained by sulfur concentration measurement methods known in the art, such as ultraviolet fluorescence spectroscopy and wavelength dispersive X-ray fluorescence spectroscopy. The sulfur concentration in the feedstock oil can be controlled by changing the feedstock oil. The information on the sulfur concentration in the feedstock oil is preferably a set value. That is, the sulfur concentration of the feedstock oil to be used can be used.

[0017] (Information about the produced oil) Examples of the information about the product oil include information about the composition of the product oil, and information about the sulfur concentration in the product oil.

[0018] Information regarding the sulfur concentration in the product oil can be obtained in the same manner as in the case of the feedstock oil described above. In this embodiment, the information regarding the sulfur concentration in the product oil is preferably a set value. That is, the sulfur concentration of the target product oil can be used.

[0019] (Information about operating conditions) Examples of information about operating conditions include information about hydrogen partial pressure, information about catalyst loading, information about the feedstock feed rate, and information about the hydrogen feed rate. For example, the information about operating conditions is at least one of information about hydrogen partial pressure, information about catalyst loading, information about the feedstock feed rate, and information about the hydrogen feed rate, and preferably all of these. The operating conditions also include time information, such as the time when any t days have elapsed since the start of the reaction.

[0020] The information on the hydrogen partial pressure, the catalyst loading amount, the feedstock feed rate, and the hydrogen feed rate can be determined by methods known in the art. The information on the hydrogen partial pressure, the catalyst loading amount, the feedstock feed rate, and the hydrogen feed rate can be controlled in the hydrotreating reaction of feedstocks including atmospheric distillation gas oil. The information on the operating conditions is preferably a set value. That is, the planned operating conditions are used.

[0021] <Deterioration level calculation step> The deterioration level calculation step of this embodiment is a step of calculating the deterioration level of the catalyst using a deterioration function based on the acquired information on the feedstock oil, information on the refined oil, and information on the operating conditions.

[0022] <Deterioration level> The degree of deterioration is expressed by the following formula 1. Φ=k t / k0 expression 1 In the above formula 1, k0 is the reaction rate constant of the catalyst after 0 days of reaction (i.e., at the start of the reaction), and k t is the reaction rate constant of the catalyst after t days of any reaction. t is the temperature T SOR is the reaction rate constant at

[0023] In this embodiment, the degree of catalyst deterioration can be calculated using a deterioration function based on the acquired information on the feedstock oil, information on the refined oil, and information on the operating conditions.

[0024] <Degradation function 1> The deterioration function is a function for calculating the deterioration level of a catalyst. In this embodiment, the deterioration function is preferably a coke deterioration function relating to catalyst deterioration due to coke deposition. The coke deterioration function is not particularly limited as long as it is a function capable of calculating the deterioration level relating to coke deterioration of a catalyst. For example, deterioration function 1 expressed by the following formula 2 can be mentioned as an example.

[0025] Φ=exp(-Dt) Equation 2 In the above formula 2, D is the deterioration coefficient of the active species of the catalyst, and t is the number of days elapsed since the reaction began.

[0026] D can be calculated by the following formula 3. The following formula 3 is an equation that can calculate the deterioration coefficient of the active species of the catalyst using specific parameters, and was first discovered by the inventors of the present application based on the operating results of an actual machine, etc.

[0027]

number

[0028] In this specification, the term "required temperature" refers to the reaction temperature required to achieve a predetermined reaction condition. That is, the required temperature on day 0 is the temperature at which the reaction starts. F , S P , LHSV, G、 and the reaction temperature required to achieve the reaction conditions P.

[0029] In this specification, the term "reference hydrogen partial pressure" refers to the standard pressure under actual reaction conditions. It is calculated as the average value of the reaction pressures used to determine the hydrogen partial pressure coefficient a, which will be described later.

[0030] In this specification, the "reference reaction temperature" refers to the T obtained under the standard operating conditions that may be actually used. SOR means the average value of

[0031] In this specification, the "reference hydrogen / feed oil ratio" refers to a standard hydrogen / feed oil ratio under actual reaction conditions. It is calculated as the average value of the hydrogen / feed oil ratios used to determine the hydrogen / feed oil ratio coefficient b, which will be described later.

[0032] In the above formula 3, T SOR represents the initial activity of the catalyst, and α represents the deactivation rate of the catalyst. SOR The larger the value of α, the greater the catalyst deterioration, and this deterioration behavior is reflected in the value of D.

[0033] In the above formula 3, (1 / S P n-1 -1 / S F n-1 The term expressed as )LHSV is the desulfurization reaction rate constant, and as mentioned above, S P , S F When the LHSV is set as a set value and the operation is performed under certain conditions, it becomes a constant. B / P) a The term expressed by (G) is a term that indicates the hydrogen partial pressure dependency, and as described above, when P is set as a set value and operation is performed under constant conditions, it becomes a constant. B / G) b The term expressed by is a term that indicates the hydrogen / feed oil ratio dependency, and as mentioned above, when G is set as a set value and operation is performed under constant conditions, it becomes a constant. In the above equation 3, exp[Ec / R(1 / T B -1 / T SOR )] is a term that indicates temperature dependency and is a constant.

[0034] In the formula 3, S F , S P , LHSV, P, and G are values ​​substituted based on the information on the feed oil, information on the product oil, and information on the operating conditions acquired in the information acquisition step described above. Note that LHSV can be calculated by dividing the feed oil supply rate (volume / h) by the catalyst loading rate (volume). G is the hydrogen supply rate (Nm 3 / hour) by the feed rate of the raw oil (kL / hour).

[0035] As mentioned above, S F , LHSV, P, and G are controllable parameters. P is the sulfur concentration of the target product oil. F , S P The depletion coefficient of the active species of the catalyst can be calculated under the reaction conditions of LHSV, P, and G. The method for determining n, which is the reaction order of the hydrotreating reaction of feedstock oil containing atmospheric distillation gas oil, will be described later.

[0036] (How to calculate basic degradation parameters) In the above formula 3, α, P B , a, G B ,b,Ec,T B , T SOR is a constant. Hereinafter, these parameters will be collectively referred to as "basic deterioration parameter 1." The basic deterioration parameter 1 is a parameter determined depending on the catalyst used, and may be determined while performing a reaction in an actual reactor, or may be determined in advance on a bench scale based on the operating conditions of the actual reactor. In this embodiment, it is preferable to determine the parameter in advance on a bench scale based on the operating conditions of the actual reactor. The basic degradation parameter P B , a, G B ,b,Ec,T B Here is an example of how to calculate P. The method of calculating P is based on the catalyst deterioration behavior (change in reaction rate constant) analyzed from data obtained from the above-mentioned reaction in the actual equipment or from bench-scale reaction under the actual equipment operating conditions. B , a, G B ,b,Ec,T B (How to find α, T SOR Two examples of how to calculate α and T are shown below, but the present invention is not limited to these. The first example is a method of calculating α and T from the catalyst deterioration behavior (change in reaction rate constant) analyzed from data obtained from the above-mentioned reaction in the actual equipment or a bench-scale reaction under the actual equipment operating conditions. SORThe second example is a method to determine α and T from the reaction temperature profile analyzed from the data obtained from the reaction in the actual equipment or the bench-scale reaction based on the actual equipment operating conditions. SOR This is how to find it 2).

[0037] (P B , a, G B ,b,Ec,T B (How to find) The method for determining the basic deterioration parameters in this embodiment is based on the deterioration behavior of the catalyst analyzed from data obtained from the above-mentioned reaction in the actual equipment or a bench-scale reaction under the operating conditions of the actual equipment. This catalyst deterioration behavior (degree of deterioration) can be expressed by the following equation 4, which is based on the same concept as equation 1. Φ'=k t ' / k0' expression 4 In the above formula 4, k0' is the reaction rate constant of the catalyst after 0 days of reaction (i.e., at the start of the reaction), and k t ' is the reaction rate constant of the catalyst after t days of any reaction. t ' is the temperature T SOR ' is the reaction rate constant at

[0038] The above-mentioned formula 4 is a degradation function based on a reaction rate constant, similar to the above-mentioned formula 1. The reaction rate constant is expressed by the Arrhenius formula shown in the following formula 5.

[0039]

number

[0040] Temperature T at the start of reaction SOR The reaction rate constant k0 at ' is k t In order to obtain an activity equivalent to the reaction rate constant k0' after t days of reaction, the reaction temperature must be set to T t', the following formula 6 is derived from formula 4 and formula 5. Note that, since the reaction in this embodiment is a hydrotreating reaction of feed oil containing atmospheric distillation gas oil, the activation energy E is set to the desulfurization activation energy Ea (kJ / mol).

[0041]

number

[0042] (Ec and T B (How to find) The LHSV, hydrogen partial pressure, hydrogen / feed oil ratio, and sulfur concentration in the feed oil are constant, and the sulfur concentration in the produced oil is set to a constant value S Pn The reaction is carried out for a certain period of time so that the sulfur concentration in the produced oil becomes S Pn To achieve this, the reaction temperature is increased while the reaction is carried out. If the reaction time is plotted on the horizontal axis and the measured reaction temperature on the vertical axis, and a regression line is drawn, y = a n x+b n (0 n ) is obtained. a n and b n is a value that reflects the catalyst deterioration behavior. n is T in the above formula 6 SOR In the above formula 6, T SOR ' to b n Substituting, T t By substituting the measured reaction temperature into ', the degree of deterioration Φ' after any reaction time t days has elapsed can be obtained. The activation energy Ea of desulfurization can be determined by the method described below. By plotting the logarithm of Φ' on the vertical axis and the reaction time on the horizontal axis, and drawing a regression line, y = -a n ’ x(|-a n ’ |=a n ’ ) is obtained. a n ​’ represents the catalyst deterioration rate.

[0043] n types of sulfur concentration S Pn The same reaction is carried out for n a n , b n Then, using the same method as above, find n a n ’ where n is an integer of 3 or more. The larger the value of n, the more accurate Ec can be obtained. On the other hand, if the value of n is too large, it takes a long time to obtain Ec, which is not efficient. In this embodiment, n is preferably 3 to 20, and more preferably 3 to 10. The n a's obtained in this way n ’ and b n are substituted into the following formula 7. The following formula 7 is an equation that can calculate the activation energy of coke and the reference reaction temperature, and was first discovered by the inventors of the present application based on the operating results of an actual machine, etc.

[0044] ln(a n ’ )=ln(A)-(Ec / Rb n ) Equation 7 In Equation 7, A is the frequency factor, Ec is the activation energy of coke deterioration (kJ / mol), and R is the gas constant: 0.00831 (kJ / (mol·K)).

[0045] n a n ’ and b n For the combination of ln(a n ’ ) on the vertical axis, and 1 / b n On the horizontal axis, a regression line is drawn and its slope is calculated. Since this slope is Ec / R, the activation energy of coke deterioration, Ec, can be calculated by subtracting R from the slope.

[0046] Also, n b n By averaging T B can be obtained.

[0047] Ec and T B In determining the above, it is preferable that the LHSV, hydrogen partial pressure, hydrogen / feed oil ratio, and sulfur concentration in the feed oil are conditions that correspond to the operating conditions of the actual plant. Such LHSV is, for example, 0.3 to 2.0 h -1 The hydrogen partial pressure is, for example, 3 to 7 MPa, and the hydrogen / feedstock ratio is, for example, 100 to 700 [Nm 3 / kL], and the sulfur concentration in the feed oil is, for example, 0.5 to 2.0 mass %. n types of sulfur concentration S Pn Similarly, it is preferable to set the conditions for S to match the actual operating conditions. Pn The content is, for example, 0.001 mass % or less. The reaction period is, for example, 30 to 1600 days.

[0048] (P B and how to find a) Under the conditions of constant LHSV, hydrogen / feed oil ratio, sulfur concentration in feed oil, and sulfur concentration in produced oil, the hydrogen partial pressure P m The reaction is carried out for a certain period of time under the conditions. Because the catalyst deteriorates during the reaction, the reaction temperature is increased to maintain a constant sulfur concentration in the resulting oil. If the reaction time is plotted on the horizontal axis and the measured reaction temperature on the vertical axis, a regression line is drawn, which gives y=a m x+b m (0 m ) is obtained. On this line, b m is T in the above formula 6 SOR In the above formula 6, T SOR ' to b m Substituting, T t By substituting the actual reaction temperature into ', the degree of deterioration Φ' after any reaction time t days has elapsed can be obtained. By plotting the reaction time on the horizontal axis and the logarithm of Φ' on the vertical axis and drawing a regression line, y = -a m ’ x(|-a m ’ |=a m ’ ) is obtained. a m ’ ​represents the catalyst deterioration rate.

[0049] m types of hydrogen partial pressure P m The same reaction is carried out for m a m , b m Then, using the same method as above, m a m ’ where m is an integer of 3 or more. The larger the value of m, the more accurate a can be obtained. On the other hand, if the value of m is too large, it takes a long time to obtain a, which is not efficient. In this embodiment, m is preferably 3 to 20, and more preferably 3 to 10. The m a obtained in this way m ' and P m are substituted into the following formula 8. The following formula 8 is an equation that can calculate the hydrogen partial pressure coefficient and the reference hydrogen partial pressure, and was first discovered by the inventors of the present application based on the operating results of an actual machine, etc.

[0050] ln(a m ’ )=-aln(P m )+B1 formula 8 In the formula 8, B1 can be 0.

[0051] m a m ' and P m For the combination of ln(a m ’ ) on the vertical axis, and ln(P m ) on the horizontal axis, draw a regression line, and determine its slope. This slope is the hydrogen partial pressure coefficient a.

[0052] In addition, the partial pressure P m By averaging P B can be obtained.

[0053] a and P B In determining the above, it is preferable that the LHSV, hydrogen / feed oil ratio, sulfur concentration in the feed oil, and sulfur concentration in the product oil are conditions that correspond to the operating conditions of the actual plant. Such LHSV is, for example, 0.3 to 2.0 h-1 The hydrogen / feedstock ratio is, for example, 100 to 700 [Nm 3 / kL], the sulfur concentration in the feed oil is, for example, 0.5 to 2.0 mass %, and the sulfur concentration in the product oil is, for example, 0.001 mass % or less. m hydrogen partial pressures P m Similarly, it is preferable to set the conditions for P to match the actual operating conditions. m The reaction pressure is, for example, 3 to 7 MPa. The reaction period is, for example, 30 to 1600 days.

[0054] (G B , how to find b) Under the conditions of constant LHSV, hydrogen partial pressure, sulfur concentration in feed oil, and sulfur concentration in the produced oil, the hydrogen / feed oil ratio G h The reaction is carried out for a certain period of time under the conditions. Because the catalyst deteriorates during the reaction, the reaction temperature is increased to maintain a constant sulfur concentration in the resulting oil. If the reaction time is plotted on the horizontal axis and the measured reaction temperature on the vertical axis, a regression line is drawn, which gives y=a h x+b h (0 h ) is obtained. On this line, b h is T in the above formula 6 SOR In the above formula 6, T SOR ' to b h Substituting, T t ’ By substituting the measured reaction temperature into the above, the degree of deterioration Φ' after any reaction time t days has elapsed can be obtained. By plotting the reaction time on the horizontal axis and the logarithm of Φ' on the vertical axis and drawing a regression line, y = -a h ’ x(|-a h ’ |=a h ’ ) is obtained. a h ’ represents the catalyst deterioration rate.

[0055] h types of hydrogen / feed oil ratio G h The same reaction is carried out for h a h , b​h Then, using the same method as above, find h a h ’ h is an integer of 3 or more. The larger the value of h, the more accurate b can be obtained. On the other hand, if the value of h is too large, it takes a long time to obtain b, which is not efficient. In this embodiment, h is preferably 3 to 20, and more preferably 3 to 10. The h a obtained in this way h ' and G h are substituted into the following equation 9. The following equation 9 is an equation that can calculate the hydrogen / feed oil ratio coefficient and the reference hydrogen / feed oil ratio, and was first discovered by the inventors of the present application based on the operating results of an actual plant, etc.

[0056] ln(a h ')=-bln(G h )+B2 Equation 9 In the formula 9, B2 can be 0.

[0057] h a h ' and G h For the combination of ln(a h ') on the vertical axis, and ln(G h ) on the horizontal axis, draw a regression line, and determine its slope. This slope is the hydrogen / feed oil ratio coefficient b.

[0058] In addition, the above h types of hydrogen / feed oil ratio G h By averaging, G B can be obtained.

[0059] b and G B In determining the above, it is preferable that the LHSV, hydrogen partial pressure, sulfur concentration in the feed oil, and sulfur concentration in the product oil are conditions that correspond to the operating conditions of the actual plant. Such LHSV is, for example, 0.3 to 2.0 h -1 The hydrogen partial pressure is, for example, 3 to 7 MPa, the sulfur concentration in the feedstock oil is, for example, 0.5 to 2.0 mass %, and the sulfur concentration in the product oil is, for example, 0.001 mass % or less. h types of hydrogen / feed oil ratio Gh Similarly, it is preferable to set the conditions for G according to the actual operating conditions. h For example, 100 to 700 [Nm 3 / kL]. The reaction period is, for example, 30 to 1600 days.

[0060] (α and T SOR How to find 1) In an actual plant or on a bench scale, the reaction is carried out for a certain period of time so that the LHSV, hydrogen partial pressure, hydrogen / feed oil ratio, sulfur concentration in the feed oil, and sulfur concentration in the product oil are the assumed operating conditions of the actual plant. Because the catalyst deteriorates during the reaction, the reaction temperature is increased during operation. The assumed operating conditions of the actual plant are (Ec and T B (How to find P B and how to find a), (G B , how to find b) The operating conditions explained in are an example. If the reaction time is plotted on the horizontal axis and the measured reaction temperature on the vertical axis, and a regression line is drawn, y=a α x+b α A straight line expressed as a is obtained. α is a value correlated to α in the above formula 3, and b α is T in the above formula 3 SOR In the above formula 6, T SOR ' to b α Substituting, T t By substituting the actual reaction temperature into ', the degree of deterioration Φ' after any reaction time t days has elapsed can be obtained. By plotting the reaction time on the horizontal axis and the logarithm of Φ' on the vertical axis and drawing a regression line, y = -a α ’ x(|-a α ’ |=a α ’ ) is obtained. a α ’ represents the catalyst deterioration rate.

[0061] The operating condition is S P , S F , LHSV, P, G and P obtained by the above method B , a, G B,b,Ec,T B、 T SOR (i.e., b α ) into the above formula 3 to find D. Substituting the found D into the above formula 2 gives Φ. In this case, Φ is a function of α. If the reaction time is plotted on the horizontal axis and the logarithm of Φ on the vertical axis, and a regression line is drawn by changing α so that 0<α, then y=-α α ” x(|-a α ” |=a α ” ) are obtained for each value of α. α ” and the above-mentioned a α ’ The value of α when these values ​​are equal can be used as α in the above formula 3.

[0062] (α and T SOR How to find 2) (α and T SOR Carry out the same reaction as in 1) above, and find y=a α x+b α Obtain a line represented by b α T in the above formula 3 SOR The operating condition is S P , S F , LHSV, P, and P obtained by the above method B , a, G B ,b,Ec,T B、 T SOR (i.e., b α ) into the above formula 3 to find D. Substituting the found D into the above formula 2 gives Φ. In this case, Φ is a function of α. Substituting the found Φ into Φ' in the above formula 6, T SOR (i.e., b α ) in the above formula 6 SOR ’ Substituting into, T t ', T t ' is a function of α. The measured reaction temperature T obs T for t ' ratio (T t ' / T obs) becomes 1 can be used as the α in the above formula 3. Similarly, N reaction temperatures T obs T for t ' ratio (T t ' / T obs ) and the value of α when their average is closest to 1 is preferably used as α in the above formula 3. N is an integer of 10 or more, preferably 10 to 500, and more preferably 50 to 200.

[0063] <Degradation function 2> In this embodiment, the coke deterioration function relating to catalyst deterioration due to coke deposition is preferably deterioration function 2, expressed by the following equation 10, which is composed of an easily deactivated active species deterioration function relating to the deterioration of easily deactivated active species of the catalyst and a hardly deactivated active species deterioration function relating to the deterioration of hardly deactivated active species of the catalyst.

[0064] Φ=k1×exp(-D1t)+k2×exp(-D2t) Equation 10 In Equation 10, k1 is the active site coefficient of the easily deactivated active species of the catalyst, k2 is the active site coefficient of the less easily deactivated active species of the catalyst, and the active site coefficients represent the relative reaction rate constants of both active species. D1 is the deterioration coefficient of the easily deactivated active species of the catalyst, D2 is the deterioration coefficient of the less easily deactivated active species of the catalyst, t is the number of days elapsed since the reaction began, and k1 + k2 = 1.

[0065] As described above, in the hydrotreating reaction of atmospheric distillation gas oil, catalyst deterioration occurs due to coke deposition, and therefore, in order to maintain the sulfur content in the product oil at a certain level or below, it is necessary to operate the reaction at an elevated temperature. In the hydrotreating reaction of atmospheric distillation gas oil, the reaction temperature rises rapidly at the beginning of the reaction. This rapid rise in reaction temperature indicates rapid deterioration of the catalyst at the beginning of the reaction. On the other hand, from the middle of the reaction onwards, the reaction temperature rises slowly. This slow rise in reaction temperature indicates slow deterioration of the catalyst at the middle of the reaction onwards.

[0066] In other words, the profile of reaction temperature versus reaction time suggests that in the hydrotreating reaction of atmospheric distillation gas oil, rapid catalyst deterioration occurs at the beginning of the reaction, followed by gradual catalyst deterioration from the middle stage of the reaction onwards.

[0067] Based on the above-mentioned profile of reaction temperature versus reaction time, the inventors of the present application further improved deactivation function 1 and discovered deactivation function 2 on the assumption that the catalyst contains active species that are easily deactivated in the early stage of the reaction and active species that are difficult to deactivate in the middle or later stage of the reaction. As a result, they found that deactivation function 2 makes it possible to calculate the degree of catalyst degradation more accurately than deactivation function 1. Easily deactivated active species are active species that lose activity mainly in the early stage of the reaction, and difficult to deactivate active species are active species that lose activity in the middle or later stage of the reaction.

[0068] In the formula 10, k1 represents the active site coefficient of the easily deactivated active species of the catalyst, and k2 represents the active site coefficient of the hardly deactivated active species of the catalyst. k1 and k2 are constants specific to the catalyst, and the method for determining them will be described later.

[0069] D1 can be calculated using the following formula 11, and D2 can be calculated using the following formula 12.

[0070]

number

[0071]

number

[0072] In the formula 11 and the formula 12, S F is the sulfur concentration (mass%) in the feed oil after any reaction time t days, and S P is the sulfur concentration (mass%) in the product oil after t days of reaction, n is the reaction order of the hydrotreating reaction of the feedstock oil containing atmospheric distillation gas oil, and LHSV is the liquid hourly space velocity (h -1 ) and P Bis the reference hydrogen partial pressure (MPa), P is the hydrogen partial pressure (MPa) after any reaction t days have passed, a is the hydrogen partial pressure coefficient, and G B is the standard hydrogen / feed oil ratio (Nm 3 / kL), G is the hydrogen / feed oil ratio (Nm 3 / kL), b is the hydrogen / feed oil ratio coefficient, Ec is the activation energy of coke degradation (kJ / mol), R is the gas constant: 0.00831 (kJ / (mol K)), and T B is the reference reaction temperature (K), and T SOR is the required temperature (K) on day 0. In the formula 11, α1 is the catalytic constant of the easily deactivated active site (a constant representing the rate of catalyst deterioration), and in the formula 12, α2 is the catalytic constant of the hardly deactivated active site (a constant representing the rate of catalyst deterioration).

[0073] In the formula 11 and the formula 12, S F , S P , LHSV, P, and G are values ​​substituted based on the information on the feed oil, the information on the product oil, and the information on the operating conditions acquired in the information acquisition step, as in the explanation of Equation 3 above. Note that LHSV can be calculated by dividing the feed oil supply rate (volume / h) by the catalyst loading rate (volume). G is the hydrogen supply rate (Nm 3 / hour) by the feed rate of the raw oil (kL / hour).

[0074] As mentioned above, S F , LHSV, P, and G are controllable parameters. P is the sulfur concentration of the target product oil. That is, according to the above formulas 11 and 12, the above S F , S P The deactivation coefficients of the easily deactivated active species of the catalyst and the deactivation coefficients of the less easily deactivated active species of the catalyst can be calculated under the reaction conditions of , LHSV, and P. The method for determining n, which is the reaction order of the hydrotreating reaction of feedstock oil containing atmospheric distillation gas oil, will be described later.

[0075] (How to calculate basic degradation parameters) In the formula 11 and the formula 12, α1, α2, P B , a, G B ,b,Ec,T B , T SOR is a constant, as in the above-mentioned formula 3, and these parameters are collectively referred to as "basic deterioration parameter 2." The basic deterioration parameter 2 is a parameter determined depending on the catalyst used, and may be determined while carrying out a reaction in an actual machine, or may be determined in advance on a bench scale based on the operating conditions of the actual machine. In this embodiment, it is preferable to determine it in advance on a bench scale based on the operating conditions of the actual machine. In the above-mentioned formulas 11 and 12, P B , a, G B ,b,Ec,T B can be calculated in the same manner as in Equation 3 above. On the other hand, α1, α2, T SOR can be calculated by the following two methods: In addition, the coefficient k1 of the number of activity sites of the easily deactivated active species of the catalyst and the coefficient k2 of the number of activity sites of the hardly deactivated active species of the catalyst in the above formula 10 can also be calculated at the same time as follows.

[0076] (α1, α 2、 T SOR , k1, and k2 calculation method 1) In an actual plant or on a bench scale, the reaction is carried out for a certain period of time so that the LHSV, hydrogen partial pressure, hydrogen / feed oil ratio, sulfur concentration in the feed oil, and sulfur concentration in the product oil are the expected operating conditions of the actual plant. Because the catalyst deteriorates during the reaction, the reaction temperature is increased during operation. The reaction time is plotted on the horizontal axis and the reaction temperature on the vertical axis. When drawing a regression line for these plots, as mentioned above, the initial reaction time (x1 to x n ) is a straight line expressed as y=a1x+b1, which correlates with the rapid rise in reaction temperature, and the line expressed as y=a1x+b1 after the middle stage of the reaction (x n+1 ~x m ) Two straight lines are obtained, which are expressed as y = a2x + b2, which correlate with the gradual increase in reaction temperature. In the above equation, a1 > a2 > 0, and b1 <b2であり、x1<x n <x n+1 <x m x n , x mmeans the reaction time relative to the n(m)th plot from the start of the reaction.

[0077] The above-mentioned a1 is a value correlated with α1, b1 is a value correlated with k1+k2, and T SOR In addition, a2 is a value that correlates with α2, and b2 is a value that correlates with k2. Next, the intersection point (x ip , y ip ) is calculated. This intersection point means the inflection point of y=a1x+b1 and y=a2x+b2. That is, (x ip , y ip ), it is assumed that only the easily deactivated active species of the catalyst exist, and (x ip , y ip ) is considered to have two active species: one that is easily deactivated and one that is difficult to deactivate.

[0078] In the formula 6, T SOR ' is assigned to b1, and T t By substituting the reaction temperature into ', the degree of deterioration Φ' after any reaction time t days has elapsed can be obtained. Plot the reaction time on the horizontal axis and the logarithm of Φ' on the vertical axis, and then calculate the ratio x1 to x ip If we draw a regression line up to y=-a1 ’ x (|-a1 ’ |=a1 ’ ) is obtained. Also, x ip ~x m If we draw a regression line to y=-a2 ’ x-b2 ’ (|-a2 ’ |=a2 ’ and |-b2 ’ |=b2 ’ ) is obtained. a1 ’ is a value correlated with α1, and a2 ’ is a value correlated with α2, and b2 ’ is a value correlated to k2.

[0079] k2 is the b2 obtained from the regression line above. ’can be calculated by substituting into the following equation 13. Since k1 is k1+k2=1, it can be calculated from k1=1-k2. k2=exp(-b2 ’ ) Equation 13

[0080] The operating condition is S P , S F , LHSV, P, G and P obtained by the above method B , a, G B ,b,Ec,T B , T SOR Substituting (b1) into the above formula 11 and formula 12 gives D1 and D2. Substituting the obtained D1, D2, k1, and k2 into the above formula 10 gives Φ. In this case, Φ is a function of α1 and α2. Plot the reaction time on the horizontal axis and the logarithm of Φ on the vertical axis, and set α2 = 0 and change α1 so that 0 < α1 to obtain x1 to x ip If we draw a regression line from y to -a α1 ” x(|-a α1 " |=a α1 ” ) are obtained for each value of α1. α1 ” and the above-mentioned a1 ’ The α1 when these values ​​are equal can be used as the α1 in the above equation 11. Next, substitute the obtained α1 into Φ, which is a function of α1 and α2 obtained by the above method, and change α2 so that 0<α2 to obtain x ip ~x m If we draw a regression line from y to -a α2 ” xb α2 " (|-a α2 ” |=a α2 " ) are obtained for each value of α2. α2 and the above-mentioned a2 ’ The α2 when these values ​​are equal can be used as the α2 in the above formula 12.

[0081] (α1, α2、 T SOR 2) How to calculate k1 and k2 (α1, α 2、 T SOR , k1, and k2. SOR (b1) is obtained. The operating condition is S P , S F , LHSV, P, and P obtained by the above method B ,a,Ec,T B , T SOR (b1) is substituted into the above formula 11 and formula 12 to obtain D1 and D2. The obtained D1 and D2 are substituted into the above formula 10 to obtain Φ. In this case, Φ is a function of α1, α2, k1, and k2. The obtained Φ is substituted into Φ' in the above formula 6, and T SOR (i.e., b1) is T in the above formula 6 SOR ’ Substituting into, T t ', T t ' is a function of α1, α2, k1, and k2. If α2 is set to 0 and k2 = 1-k1, then T t ' is a function of α1 and k1. x1~x ip The measured reaction temperature T obs T for t 'ratio(T t ' / T obs ) is 1, and this α1 can be used as α1 in the above formula 11. Note that k1 at this time is a tentative value. Similarly, M reaction temperatures T obs T for t ' ratio (T t ' / T obs ) and the value of α1 when their average is closest to 1 is preferably taken as α1 in the above formula 11. M is an integer of 10 or more, preferably 10 to 500, and more preferably 50 to 200. Using the obtained α1, let k1 = 1-k2, and T t is a function of α2 and k2. x ip ~x m The measured reaction temperature T obs T for t ' ratio (T t ' / T obs) is 1, the combination of α2 and k2 can be determined, and these α2 and k2 can be used as α2 and k2 in the above formula 12. By substituting the obtained k2 into k1 = 1 - k2, k1 can be determined, and this k1 can be used as k1 in the above formula 11. Similarly, obs T for t ' ratio (T t ' / T obs ) and use α2 and k2 when their average is closest to 1 as α2 and k2 in the formula 12. Also, use k1 calculated from the obtained k2 as k1 in the formula 11. L is an integer of 10 or more, preferably 10 to 500, and more preferably 50 to 200.

[0082] In this way, α1, α 2、 T SOR , k1, and k2, it is necessary to obtain y=a1x+b1 and y=a2x+b2. For example, y=a1x+b1 and y=a2x+b2 can be obtained as follows.

[0083] Using the method described above, plot the reaction time on the horizontal axis and the reaction temperature on the vertical axis. A regression line is drawn from the start of the reaction to the end of the reaction, resulting in a line expressed as y = a'x + b'. This line does not take into account the inflection point. Remove plots from the end of the reaction in order, and adjust the y = a'x + b' so that the correlation coefficient approaches 1, to obtain y = a1'x + b1'. Similarly, remove plots from the start of the reaction in order, and adjust the y = a'x + b' so that the correlation coefficient approaches 1, to obtain y = a2'x + b2'. The lines where the average correlation coefficients of y = a1'x + b1' and y = a2'x + b2' are closest to 1 are y = a1x + b1 and y = a2x + b2. All plots should belong to either y = a1x + b1 or y = a2x + b2.

[0084] The reaction time required to obtain y = a1x + b1 and y = a2x + b2 is usually 100 days or more. In general, it is sufficient to carry out the reaction until the correlation function of y = a'x + b' becomes 0.5 or greater.

[0085] <Reaction temperature calculation step> The reaction temperature calculation step of this embodiment is a step of calculating a reaction temperature necessary to satisfy the information on the feed oil, the information on the product oil, and the operating conditions based on the degree of catalyst deterioration. The reaction temperature is preferably calculated using a deterioration rate equation based on the Arrhenius equation.

[0086] <Deterioration rate formula> The deterioration rate equation is based on the Arrhenius equation expressed by the above-mentioned equation 5. Similar to the calculation method of the above-mentioned equation 6, the following equation 14 is derived from the above-mentioned equations 1 and 5.

[0087]

number

[0088]

number

[0089] In the above formula 15, T obtained by the above method SOR , Φ, T after t days of any reaction t (K) can be obtained. The activation energy of the desulfurization reaction in the above formula 15 can be calculated as follows.

[0090] (How to calculate the activation energy of the desulfurization reaction) The activation energy of the desulfurization reaction can be determined by a method known in the art based on the Arrhenius equation represented by the above-mentioned formula 5. An example will be described below.

[0091] First, determine the reaction order of the desulfurization reaction of feedstock oil containing atmospheric distillation gas oil. The reaction temperature, hydrogen partial pressure, hydrogen / feedstock ratio, and sulfur concentration in the feedstock oil are kept constant, and the reaction is carried out under the conditions of LHSV(x), and the sulfur concentration in the resulting oil is measured. S in the desulfurization reaction rate equation, expressed as Equation 16 below, F The sulfur concentration in the feed oil is expressed as S P Substitute LHSV(x) for the sulfur concentration in the resulting oil obtained in . Plot the result on the left side of the equation on the vertical axis and 1 / LHSV on the horizontal axis. In this case, the vertical axis is a function of n.

[0092]

number

[0093] The same reaction is carried out for x types of LHSV(x), and x plots of the above are obtained. Based on the obtained plots, a regression line is drawn through the origin to obtain a line expressed as y = cx. y is (1 / n-1((1 / S P n-1 )-(1 / S F n-1 ))), where x is 1 / LHSV and c is k. Calculate the correlation function using Excel or similar software and find the n that makes the correlation coefficient closest to 1. The resulting n is the reaction order. Note that n should be calculated to the first decimal place.

[0094] The above x is an integer of 3 or more. The larger the number of x, the more accurate n can be obtained. On the other hand, if the number of x is too large, it takes a long time to obtain n, which is not efficient. In this embodiment, x is preferably 3 to 20, and more preferably 3 to 10.

[0095] In determining n, the reaction temperature, hydrogen partial pressure, hydrogen / feedstock ratio, and sulfur concentration in the feedstock are preferably set to conditions that correspond to the operating conditions of an actual plant. The reaction temperature is, for example, 300 to 400°C, the hydrogen partial pressure is, for example, 3 to 7 MPa, and the hydrogen / feedstock ratio is, for example, 100 to 700 [Nm 3 / kL], and the sulfur concentration in the feed oil is, for example, 0.5 to 2.0 mass %. Similarly, it is preferable that the x types of LHSV(x) are set to conditions that correspond to the actual operating conditions. For example, LHSV(x) is set to 0.3 to 2.0 h -1 is.

[0096] When the activation energy E in the Arrhenius equation expressed by the above formula 5 is set as the activation energy Ea of desulfurization and the natural logarithm of both sides is taken, the following formula 17 is obtained.

number

[0097] The hydrogen partial pressure, hydrogen / feed oil ratio, LHSV, and sulfur concentration in the feed oil are kept constant, and the reaction is carried out at a reaction temperature of T(y), and the sulfur concentration in the resulting oil is measured. F The sulfur concentration in the feed oil is expressed as S P The sulfur concentration in the product oil obtained in is substituted for LHSV, and the above obtained n is substituted to determine the reaction rate constant k. The obtained reaction rate constant is substituted into the above equation 17, and the result (lnk) on the left side obtained is plotted on the vertical axis and 1 / T (1 / T(y)) on the horizontal axis.

[0098] The same reaction is carried out at y different reaction temperatures T(y), and y plots like the one above are obtained. A regression line is drawn from the resulting plots, and its slope is determined. Since this slope is Ea / R, the activation energy of desulfurization, Ea, can be calculated by subtracting R from the slope.

[0099] The above y is an integer of 3 or more. The larger the number of y, the more accurate Ea can be obtained. On the other hand, if the number of y is too large, it takes time to obtain Ea, which is not efficient. In this embodiment, y is preferably 3 to 20, and more preferably 3 to 10.

[0100] In determining Ea, the hydrogen partial pressure, hydrogen / feed oil ratio, LHSV, and sulfur concentration in the feed oil are preferably set to conditions that correspond to the operating conditions of the actual plant. The hydrogen partial pressure is, for example, 3 to 7 MPa, and the hydrogen / feedstock ratio is 100 to 700 [Nm 3 / kL] and LHSV is 0.3 to 2.0 h -1 The sulfur concentration in the feed oil is 0.5 to 2.0 mass %. Similarly, it is preferable that the reaction temperature T(y) of the y types is set to a condition that conforms to the operating conditions of the actual equipment. Such T(y) is 300 to 400°C.

[0101] By substituting each parameter thus obtained into the above-mentioned formula 15, the reaction temperature T required to achieve the predetermined reaction conditions can be calculated. t can be obtained.

[0102] Actual reaction temperature T obs The reaction temperature T obtained by the information processing method of this embodiment t is the ratio of T t / T obs is preferably 0.97 to 1.03, and more preferably 0.985 to 1.015, in °C. t / T obs If is within the above range, it can be determined that the reaction temperature can be estimated with high accuracy.

[0103] <Information output step> The method may further include an information output step (S4 in FIG. 1) of outputting information indicating the reaction temperature thus obtained. For example, S4 is executed by the output unit 14.

[0104] <Hydrotreatment reaction of feedstock oil including atmospheric distillation gas oil> The hydrotreating reaction of feedstock oils including atmospheric distillation gas oil will be outlined below. Atmospheric distillation gas oil is a fraction with a boiling point range of 150 to 380°C obtained by atmospheric distillation of crude oil. The density of atmospheric distillation gas oil is 0.83 to 0.90 g / mL. The content of atmospheric distillation gas oil in the feedstock oil may be, for example, 50 to 100% by volume, or 80 to 100% by volume. In addition, examples of oil types contained in the feedstock other than atmospheric distillation light oil and cracked light oil include light oil fractions obtained from fluid catalytic cracking units, direct desulfurization units, indirect desulfurization units, and the like.

[0105] The hydrotreating reaction of a feedstock containing atmospheric distillation gas oil can be carried out by contacting the feedstock containing atmospheric distillation gas oil with a hydrotreating catalyst in the presence of hydrogen. The hydrotreating catalyst is not particularly limited, and any hydrotreating catalyst known in the art can be used. Various catalyst supports can be used, including, for example, silica, alumina, boria, magnesia, titania, silica-alumina, silica-magnesia, silica-zirconia, silica-thoria, silica-beryllia, silica-titania, silica-boria, alumina-zirconia, alumina-titania, alumina-boria, alumina-chromia, titania-zirconia, silica-alumina-thoria, silica-alumina-zirconia, silica-alumina-magnesia, silica-magnesia-zirconia, and the like, or mixtures of two or more of these. Among these inorganic oxides, preferred are alumina, silica-alumina, alumina-titania, alumina-boria, and alumina-zirconia, with alumina being particularly preferred, and gamma alumina being particularly preferred. These inorganic oxides may be used alone or in combination of two or more.

[0106] The metal contained in the support as an active component is at least one metal selected from Group 6 metals and Groups 8 to 10 metals of the periodic table, preferably molybdenum, tungsten, cobalt, and nickel. These metals are effective in the metallic state, metal oxide, or metal sulfide form. They may also be bonded to the catalyst support by ion exchange or other methods. The content of this metal component is typically within the range of approximately 10 to 25 mass% of the catalyst, calculated as oxide. If the metal content is less than 10 mass%, the absolute amount of metal acting as active sites is small, and hydrotreating activity (hereinafter simply referred to as hydrotreating activity), including desulfurization activity, is not achieved. Conversely, if the supported metal content is greater than 25 mass%, metal aggregation occurs, reducing the number of active sites and, as a result, hydrotreating activity is actually reduced. Furthermore, if necessary, phosphorus, boron, zinc, zirconia, etc. can be contained in addition to the active metals consisting of Group 6 and Group 8 metals of the periodic table. When applying the method of the present invention, there is no restriction on the form of the catalyst bed, and it can be applied to reactors with catalyst beds such as fixed beds, moving beds, and fluidized beds.

[0107] The conditions for the hydrotreating reaction of feedstock oil containing atmospheric distillation gas oil are generally a reaction temperature of 300 to 400°C, preferably 330 to 400°C, a hydrogen partial pressure of 3 to 7 MPa, preferably 4 to 7 MPa, and an LHSV of 0.3 to 2.0 hr. -1 , preferably 0.5 to 1.5 hours -1 The hydrogen / feed oil ratio is 100 to 700 (Nm 3 / kL), preferably 200 to 500 (Nm 3 / kL).

[0108] The sulfur concentration in the feedstock oil containing atmospheric distillation gas oil is usually 0.5 to 2.0 mass %, and the sulfur concentration in the product oil is 0.001 mass % or less.

[0109] <Reaction temperature calculation device> The reaction temperature calculation device of this embodiment includes an acquisition unit that acquires information about the feedstock, information about the product oil, and information about the operating conditions when a predetermined time has elapsed since the start of the reaction, regarding the hydrotreating reaction of feedstock containing atmospheric distillation light oil; and a calculation unit that calculates the degree of catalyst degradation using a degradation function based on the information about the feedstock, information about the product oil, and information about the operating conditions acquired by the acquisition unit, and calculates the reaction temperature required to satisfy the information about the feedstock, information about the product oil, and the operating conditions based on the calculated degree of catalyst degradation.

[0110] The reaction temperature calculation device 1 of this embodiment is configured using an information processing device such as a personal computer, a server device, or a dedicated device. The reaction temperature calculation device 1 may be configured using one or more information processing devices. For example, the reaction temperature calculation device 1 may be configured as a cluster machine, a cloud, or any other configuration. Specifically, as shown in FIG. 4, the reaction temperature calculation device 1 includes an acquisition unit 11 and a computer main body 12 that processes information from the acquisition unit. The reaction temperature calculation device 1 may also include an output unit 14 that outputs information processed by the computer main body 12 to the outside. These components are realized, for example, by a hardware processor such as a CPU (Central Processing Unit) executing a program (software). Furthermore, some or all of these components may be realized by hardware (including circuitry) such as an LSI (Large Scale Integrated circuit), an ASIC (Application Specific Integrated Circuit), an FPGA (Field-Programmable Gate Array), or a GPU (Graphics Processing Unit), or may be realized by a combination of software and hardware. The program may be stored in advance in a storage device (a storage device with a non-transitory storage medium) such as a hard disk drive (HDD) or flash memory, or may be stored in a removable storage medium (a non-transitory storage medium) such as a DVD or CD-ROM, and installed in the storage device by inserting the storage medium into a drive device. The storage device may be configured, for example, with a HDD, flash memory, electrically erasable programmable read-only memory (EEPROM), read-only memory (ROM), or random access memory (RAM).

[0111] The acquisition unit 11 receives predetermined information input by a reaction operator and transmits the information acquired by this input to the computer main body 12. The information acquired by the acquisition unit 11 in this embodiment is, with respect to the hydrotreating reaction of feedstock oil containing atmospheric distillation gas oil, information on the feedstock oil at a predetermined time after the start of the reaction, information on the product oil, and information on the operating conditions. The information on the feedstock oil at a predetermined time after the start of the reaction, information on the product oil, and information on the operating conditions are as described above. For example, the acquisition unit 11 executes the information acquisition step described above. The acquisition unit 11 only needs to acquire information on the feedstock oil at a predetermined time after the start of the reaction, information on the product oil, and information on the operating conditions, and the acquisition method is not particularly limited.

[0112] In this embodiment, the acquisition unit 11 is configured with a single keyboard. The specific configuration of the acquisition unit 11 is not limited, and although it is a keyboard in this embodiment, it may also be a touch panel or the like. Note that acquisition units for acquiring various types of information may be configured separately and each may be independently connected to the computer main body 12. Furthermore, the acquisition unit 11 may be configured to directly acquire each piece of information via wired or wireless communication from a computer or the like used for controlling the reactor or the like.

[0113] The computer main body 12 is, for example, a so-called computer capable of processing various types of information. The computer main body 12 includes an arithmetic unit 13. For example, a predetermined program is installed in the computer main body 12, and the arithmetic unit 13 is functionally configured by executing this program. Specifically, the arithmetic unit 13 calculates the degree of catalyst deterioration using a deterioration function based on information about the feedstock oil, information about the product oil, and information about the operating conditions acquired by the acquisition unit 11 at a predetermined time after the start of the reaction, and calculates the reaction temperature required to satisfy the information about the feedstock oil, information about the product oil, and the operating conditions based on the degree of catalyst deterioration. The deterioration function is as described above. As described above, the reaction temperature can be calculated, for example, from a deterioration rate equation. For example, the arithmetic unit 13 executes the deterioration degree calculation step and the reaction temperature calculation step described above. The calculation unit 13 may include, for example, a processor such as a CPU (Central Processing Unit) or an MPU (Micro Processing Unit) and non-volatile or volatile semiconductor memory (for example, RAM (Random Access Memory), ROM (Read Only Memory), flash memory, EPROM (Erasable Programmable Read Only Memory), or EEPROM (Electrically Erasable Programmable Read Only Memory)). For example, the calculation unit 13 may be a microcontroller such as an MCU.

[0114] The calculation unit 13 may output to the output unit 14 the information regarding the feedstock oil obtained as described above, the information regarding the product oil, and information indicating the reaction temperature required to satisfy the operating conditions.

[0115] The output unit 14 receives the calculation results (reaction temperatures) output by the computer main body 12 (more specifically, the calculation unit 13) and outputs the received calculation results to the outside. The output unit 14 of this embodiment is configured by a display unit such as a CRT display, a liquid crystal display, or a PDP, but is not limited to this and may be configured to output to a printing unit such as a printer, or to other devices (for example, a computer used to control the hydrotreating reaction of feedstock oil including atmospheric distillation light oil), etc. The output unit 14 may also be a combination of these. For example, the output unit 14 executes the information output step described above.

[0116] Furthermore, in this embodiment, there is provided a reaction temperature calculation program for causing a computer to function as a reaction temperature calculation device, and a non-transitory computer-readable recording medium storing the program. Examples of non-transitory computer-readable recording media include magnetic tapes (such as digital data storage (DSS)), magnetic disks (such as hard disk drives (HDDs) and flexible disks (FDs)), optical disks (such as compact disks (CDs), digital versatile disks (DVDs), and Blu-ray disks (BDs)), magneto-optical disks (MOs), and flash memories (such as solid-state drives (SSDs), memory cards, and USB memories).

[0117] <Method of using information processing method and reaction temperature calculation device> The information processing method and reaction temperature calculation device of this embodiment can estimate the reaction temperature required to achieve specified reaction conditions for the hydrotreating reaction of feedstock oil containing atmospheric distillation gas oil. The information processing method and reaction temperature calculation device of this embodiment can obtain a plot of estimated reaction temperatures over time. The relationship between the plot and the maximum operating temperature of the equipment, etc., can be used in the following ways:

[0118] A first application method is to estimate the operating time (number of days) required to replace a catalyst under specified reaction conditions. That is, the plot allows the time required for the maximum equipment operating temperature to be estimated, and from that time, the operating time (number of days) required for catalyst replacement can be estimated. Furthermore, if the estimated reaction temperature is not equal to or lower than the equipment set temperature, an information processing method shown in S4-1 to S4-3 of FIG. 2 may be performed. The information processing method shown in S4-1 of FIG. 2 includes an information acquisition step (S4-1 of FIG. 2) for acquiring information about the target reaction temperature; a deterioration degree calculation step (S4-2 of FIG. 2) for calculating the catalyst deterioration level using a deterioration function based on the acquired target reaction temperature; and a reaction condition calculation step (S4-3 of FIG. 2) for calculating information about the feedstock oil, information about the product oil, and information about the operating conditions required to achieve the target reaction temperature based on the deterioration degree. The method may further include an information output step (S4-4 of FIG. 2) for outputting the information about the feedstock oil, information about the product oil, and information about the operating conditions obtained in this manner. Specifically, for example, when degradation function 1 is used, T in Equation 15 is t Substitute the desired reaction temperature into , and calculate Φ. Substitute the obtained Φ into the above formula 2 to calculate D. Substitute the obtained D into the above formula 3, and calculate S so that the equality of the above formula 3 holds. P , S F , LHSV, and P. In the above combination, for example, S P , S F may be used as set values ​​to find P and LHSV. As the degradation function, either degradation function 1 or degradation function 2 may be used. Note that the above steps are executed, for example, by the reaction temperature calculation device 1 of this embodiment. For example, S4-1 is executed by the acquisition unit 11, S4-2 and S4-3 are executed by the calculation unit 13 in the computer main body 12, and S4-4 is executed by the output unit 14. Note that the target temperature may be stored in advance in the calculation unit 13 in the computer main body 12.

[0119] A second application method is to estimate reaction conditions (throughput (LHSV), etc.) for achieving a predetermined operation time. Such an information processing method is represented by S1A to 3A in FIG. 3. The information processing method represented by S1A to 3A in FIG. 3 includes an information acquisition step (S1A in FIG. 3) for acquiring information about a target reaction temperature for a predetermined operation time, a deterioration degree calculation step (S2A in FIG. 3) for calculating a catalyst deterioration level using a deterioration function based on the acquired target reaction temperature, and a reaction condition calculation step (S3A in FIG. 3) for calculating information about the feed oil, information about the product oil, and information about the operation conditions required to achieve the target reaction temperature based on the deterioration level. The method may further include an information output step (S4A in FIG. 3) for outputting the information about the feed oil, information about the product oil, and information about the operation conditions obtained in this manner. Specifically, for example, when deterioration function 1 is used, T in Equation 15 is calculated as follows: t The target reaction temperature after the specified operation time t days has elapsed is substituted into the above equation to obtain Φ. The obtained Φ is substituted into the above equation 2 to obtain D. The obtained D is substituted into the above equation 3 to obtain S so that the equality of the above equation 3 is established. P , S F , LHSV, and P. In the above combination, for example, S P , S F may be used as set values ​​to find P and LHSV. As the degradation function, either degradation function 1 or degradation function 2 may be used. Note that the above steps are executed, for example, by the reaction temperature calculation device 1 of this embodiment. For example, S1A is executed by the acquisition unit 11, S2A and S3A are executed by the calculation unit 13 in the computer main body 12, and S4A is executed by the output unit 14. Note that the target temperature for a predetermined operation time may be stored in advance in the calculation unit 13 in the computer main body 12. [Example]

[0120] The present invention will be explained in more detail below with reference to examples, but the present invention is not limited to the following examples.

[0121] [Example] A bench-scale hydrotreating reaction was carried out by contacting a feedstock containing 99% by volume of atmospheric distillation gas oil with a hydrotreating catalyst. Based on the obtained results, a degradation function was calculated. In this example, degradation function 2 expressed by the above-mentioned formula 10 was used. The parameters in the formulas 10 to 12 were calculated by the above-mentioned method, and the results were k1 = 0.25, k2 = 0.75, α1 = 0.05, α2 = 0.0006044, P B =3.234(MPa), a=2, b=1.3, Ec=83.1(kJ / mol), T B =625(K), G B =400[Nm 3 / kL], T SOR =624.8(K), n=1.3. The reaction was carried out in an actual reactor using the same feedstock and catalyst as in the bench-scale hydrotreating reaction. F =1.05(mass%), P=4.6(MPa), LHSV=0.62(h -1 ), S P = 0.0006 (mass%). Furthermore, the activation energy of desulfurization was calculated in advance using the method described above, and was found to be Ea = 120 (kJ / mol). These basic degradation parameters and reaction conditions were substituted into the above formulas 11 and 12 to obtain D1 and D2 after any reaction time of t days. The obtained D1 and D2 and the number of reaction days t were substituted into the above formula 10 to obtain Φ. The obtained Φ, Ea, and T SOR Substituting this into Equation 15, the required temperature T after t days of reaction is calculated. t Table 1 shows the actual reaction temperature measurements at t = 239 days, 723 days, and 1132 days, as well as the required temperature T t , and the required temperature T t / The percentage of the actual reaction temperature is shown.

[0122] [Table 1]

[0123] As shown in Table 1, the required temperature Tt was found to be almost the same as the measured reaction temperature. [Explanation of symbols]

[0124] 1. Reaction temperature calculation device 11...Acquisition part 12...Calculator body 13... Arithmetic section 14. Output section

Claims

1. With respect to the hydrotreating reaction of a feedstock oil containing atmospheric distillation gas oil, an information acquisition step of acquiring information on the feedstock oil, information on the product oil, and information on operating conditions at a predetermined time after the start of the reaction; a deterioration degree calculation step of calculating a deterioration degree of the catalyst using a deterioration function based on the acquired information on the feed oil, the information on the product oil, and the information on the operating conditions; and a reaction temperature calculation step of calculating information about the feed oil, information about the product oil, and a reaction temperature necessary to satisfy the operating conditions based on the deterioration degree of the catalyst, An information processing method, wherein the degradation function is a function expressed by the following formula 2: an information processing method, wherein the information about the feedstock oil includes information about the sulfur concentration in the feedstock oil, the information about the product oil includes information about the sulfur concentration in the product oil, and the information about the operating conditions includes information about the hydrogen partial pressure, information about the hydrogen supply amount, information about the catalyst loading amount, and information about the feedstock oil supply amount. Φ=exp(-Dt) Formula 2 In the above formula 2, Φ is the degree of catalyst deterioration expressed by the following formula 1, D is the deterioration coefficient of the active species of the catalyst calculated by the following formula 3, and t is the number of days elapsed since the reaction began. Φ = k ｔ / k ０ Formula 1 In the formula 1, k ０ is the reaction rate constant of the catalyst at day 0 of the reaction (at the start of the reaction), and k ｔ is the reaction rate constant of the catalyst after t days of any reaction. ０ , k ｔ is the temperature T in the following equation 3 ＳＯＲ is the reaction rate constant at [Equation 1] In the above formula 3, α is a catalyst constant (a constant representing the rate of catalyst deterioration), and S Ｆ is the sulfur concentration (mass%) in the feed oil after any reaction time t days, and S Ｐ is the sulfur concentration (mass%) in the product oil after t days of reaction, n is the reaction order of the hydrotreating reaction of the feedstock oil containing atmospheric distillation gas oil, and LHSV is the liquid hourly space velocity (h －１ ) and P Ｂ is the reference hydrogen partial pressure (MPa), P is the hydrogen partial pressure (MPa) after t days of reaction, a is the hydrogen partial pressure coefficient, and G Ｂ is the standard hydrogen / feed oil ratio (Nm ３ / kL), G is the hydrogen / feedstock ratio (Nm ３ / kL), b is the hydrogen / feed oil ratio coefficient, Ec is the activation energy of coke deterioration (kJ / mol), R is the gas constant: 0.00831 (kJ / (mol·K)), and T Ｂ is the reference reaction temperature (K), and T ＳＯＲ is the required temperature (K) on day 0. Ｂ , a, G Ｂ ,b,Ec,T Ｂ , T ＳＯＲ is a constant determined depending on the catalyst used. The constant is determined while carrying out a reaction in an actual reactor, or is determined in advance on a bench scale based on the operating conditions of the actual reactor.

2. With respect to the hydrotreating reaction of a feedstock oil containing atmospheric distillation gas oil, an information acquisition step of acquiring information on the feedstock oil, information on the product oil, and information on operating conditions at a predetermined time after the start of the reaction; a deterioration degree calculation step of calculating a deterioration degree of the catalyst using a deterioration function based on the acquired information on the feed oil, the information on the product oil, and the information on the operating conditions; and a reaction temperature calculation step of calculating information about the feed oil, information about the product oil, and a reaction temperature necessary to satisfy the operating conditions based on the deterioration degree of the catalyst, An information processing method, wherein the degradation function is a function expressed by the following formula 10: an information processing method, wherein the information about the feedstock oil includes information about the sulfur concentration in the feedstock oil, the information about the product oil includes information about the sulfur concentration in the product oil, and the information about the operating conditions includes information about the hydrogen partial pressure, information about the hydrogen supply amount, information about the catalyst loading amount, and information about the feedstock oil supply amount. Φ = k 1 ×exp(-D) １ t) + k ２ ×exp(-D) ２ t) Equation 10 In the above formula 10, Φ is the degree of catalyst deterioration represented by the following formula 1, and k １ is the active site coefficient of the easily deactivated active species of the catalyst, and k ２ is the active site coefficient of the catalyst's resistant to deactivation, and the active site coefficient represents the relative reaction rate constant of both active species. １ is the deterioration coefficient of the easily deactivated active species of the catalyst, calculated from the following formula 11, D ２ is the deterioration coefficient of the catalyst's resistant to deactivation and is calculated using the following formula 12, t is the number of days elapsed since the reaction (days), and k １ +k ２ = 1, and k １ and k ２ is determined while carrying out the reaction in an actual reactor, or is determined in advance on a bench scale based on the operating conditions of the actual reactor. Φ = k ｔ / k ０ Formula 1 In the formula 1, k ０ is the reaction rate constant of the catalyst at day 0 of the reaction (at the start of the reaction), and k ｔ is the reaction rate constant of the catalyst after t days of any reaction. ０ , k ｔ is the temperature T in the following equations 11 and 12. ＳＯＲ is the reaction rate constant at [Equation 2] [Equation 3] In the formula 11 and the formula 12, S Ｆ is the sulfur concentration (mass%) in the feed oil after any reaction time t days, and S Ｐ is the sulfur concentration (mass%) in the product oil after t days of reaction, n is the reaction order of the hydrotreating reaction of the feedstock oil containing atmospheric distillation gas oil, and LHSV is the liquid hourly space velocity (h －１ ) and P Ｂ is the reference hydrogen partial pressure (MPa), P is the hydrogen partial pressure (MPa) after t days of reaction, a is the hydrogen partial pressure coefficient, and G Ｂ is the standard hydrogen / feed oil ratio (Nm ３ / kL), G is the hydrogen / feedstock ratio (Nm ３ / kL), b is the hydrogen / feed oil ratio coefficient, Ec is the activation energy of coke deterioration (kJ / mol), R is the gas constant: 0.00831 (kJ / (mol·K)), and T Ｂ is the reference reaction temperature (K), and T ＳＯＲ is the required temperature (K) on day 0. In the above formula 11, α １ is the catalytic constant of the easily deactivated active site (a constant representing the rate of catalyst deterioration), and in the above formula 12, α ２ is the catalytic constant of the refractory active site (a constant that represents the rate of catalyst deterioration). １ , α ２ , P Ｂ , a, G Ｂ ,b,Ec,T Ｂ , T ＳＯＲ is a constant determined depending on the catalyst used. The above constant is determined while carrying out the reaction in an actual reactor, or is determined in advance on a bench scale based on the operating conditions of the actual reactor.

3. A reaction temperature calculation device comprising: an acquisition unit that acquires information about the feedstock, information about the product oil, and information about operating conditions when a predetermined time has elapsed since the start of a hydrotreating reaction of a feedstock containing atmospheric distillation gas oil; and a calculation unit that calculates a catalyst degradation level using a degradation function based on the information about the feedstock, information about the product oil, and information about the operating conditions acquired by the acquisition unit, and calculates a reaction temperature required to satisfy the information about the feedstock, information about the product oil, and the operating conditions based on the calculated catalyst degradation level, The degradation function is a function expressed by the following formula 2, the information about the feed oil includes information about the sulfur concentration in the feed oil, the information about the product oil includes information about the sulfur concentration in the product oil, and the information about the operating conditions includes information about the hydrogen partial pressure, information about the hydrogen supply amount, information about the catalyst loading amount, and information about the feed oil supply amount. Φ=exp(-Dt) Formula 2 In the above formula 2, Φ is the degree of catalyst deterioration expressed by the following formula 1, D is the deterioration coefficient of the active species of the catalyst calculated by the following formula 3, and t is the number of days elapsed since the reaction began. Φ = k ｔ / k ０ Formula 1 In the formula 1, k ０ is the reaction rate constant of the catalyst at day 0 of the reaction (at the start of the reaction), and k ｔ is the reaction rate constant of the catalyst after t days of any reaction. ０ , k ｔ is the temperature T in the following equation 3 ＳＯＲ is the reaction rate constant at [Equation 4] In the above formula 3, α is a catalyst constant (a constant representing the rate of catalyst deterioration), and S Ｆ is the sulfur concentration (mass%) in the feed oil after any reaction time t days, and S Ｐ is the sulfur concentration (mass%) in the product oil after t days of reaction, n is the reaction order of the hydrotreating reaction of the feedstock oil containing atmospheric distillation gas oil, and LHSV is the liquid hourly space velocity (h －１ ) and P Ｂ is the reference hydrogen partial pressure (MPa), P is the hydrogen partial pressure (MPa) after t days of reaction, a is the hydrogen partial pressure coefficient, and G Ｂ is the standard hydrogen / feed oil ratio (Nm ３ / kL), G is the hydrogen / feedstock ratio (Nm ３ / kL), b is the hydrogen / feed oil ratio coefficient, Ec is the activation energy of coke deterioration (kJ / mol), R is the gas constant: 0.00831 (kJ / (mol·K)), and T Ｂ is the reference reaction temperature (K), and T ＳＯＲ is the required temperature (K) on day 0. Ｂ , a, G Ｂ ,b,Ec,T Ｂ , T ＳＯＲ is a constant determined depending on the catalyst used. The constant is determined while carrying out a reaction in an actual reactor, or is determined in advance on a bench scale based on the operating conditions of the actual reactor.

4. A reaction temperature calculation device comprising: an acquisition unit that acquires information about the feedstock, information about the product oil, and information about operating conditions when a predetermined time has elapsed since the start of a hydrotreating reaction of a feedstock containing atmospheric distillation gas oil; and a calculation unit that calculates a catalyst degradation level using a degradation function based on the information about the feedstock, information about the product oil, and information about the operating conditions acquired by the acquisition unit, and calculates a reaction temperature required to satisfy the information about the feedstock, information about the product oil, and the operating conditions based on the calculated catalyst degradation level, The degradation function is a function expressed by the following formula 10, the information about the feed oil includes information about the sulfur concentration in the feed oil, the information about the product oil includes information about the sulfur concentration in the product oil, and the information about the operating conditions includes information about the hydrogen partial pressure, information about the hydrogen supply amount, information about the catalyst loading amount, and information about the feed oil supply amount. Φ = k 1 ×exp(-D) １ t) + k ２ ×exp(-D) ２ t) Equation 10 In the above formula 10, Φ is the degree of catalyst deterioration represented by the following formula 1, and k １ is the active site coefficient of the easily deactivated active species of the catalyst, and k ２ is the active site coefficient of the catalyst's resistant to deactivation, and the active site coefficient represents the relative reaction rate constant of both active species. １ is the deterioration coefficient of the easily deactivated active species of the catalyst, calculated from the following formula 11, D ２ is the deterioration coefficient of the catalyst's resistant to deactivation and is calculated using the following formula 12, t is the number of days elapsed since the reaction (days), and k １ +k ２ = 1, and k １ and k ２ is determined while carrying out the reaction in an actual reactor, or is determined in advance on a bench scale based on the operating conditions of the actual reactor. Φ=k t / k 0 Equation 1 In the formula 1, k ０ is the reaction rate constant of the catalyst at day 0 of the reaction (at the start of the reaction), and k ｔ is the reaction rate constant of the catalyst after t days of any reaction. ０ , k ｔ is the temperature T in the following equations 11 and 12. ＳＯＲ is the reaction rate constant at [Equation 5] [Equation 6] In the formula 11 and the formula 12, S Ｆ is the sulfur concentration (mass%) in the feed oil after any reaction time t days, and S Ｐ is the sulfur concentration (mass%) in the product oil after t days of reaction, n is the reaction order of the hydrotreating reaction of the feedstock oil containing atmospheric distillation gas oil, and LHSV is the liquid hourly space velocity (h －１ ) and P Ｂ is the reference hydrogen partial pressure (MPa), P is the hydrogen partial pressure (MPa) after t days of reaction, a is the hydrogen partial pressure coefficient, and G Ｂ is the standard hydrogen / feed oil ratio (Nm ３ / kL), G is the hydrogen / feedstock ratio (Nm ３ / kL), b is the hydrogen / feed oil ratio coefficient, Ec is the activation energy of coke deterioration (kJ / mol), R is the gas constant: 0.00831 (kJ / (mol·K)), and T Ｂ is the reference reaction temperature (K), and T ＳＯＲ is the required temperature (K) on day 0. In the above formula 11, α １ is the catalytic constant of the easily deactivated active site (a constant representing the rate of catalyst deterioration), and in the above formula 12, α ２ is the catalytic constant of the refractory active site (a constant that represents the rate of catalyst deterioration). １ , α ２ , P Ｂ , a, G Ｂ ,b,Ec,T Ｂ , T ＳＯＲ is a constant determined depending on the catalyst used. The above constant is determined while carrying out the reaction in an actual reactor, or is determined in advance on a bench scale based on the operating conditions of the actual reactor.

5. A reaction temperature calculation program for causing a computer to function as the reaction temperature calculation device according to claim 3 or 4.

6. A non-transitory computer-readable recording medium storing the program according to claim 5.

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