Theoretical Criterion

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Wanghua Chen - One of the best experts on this subject based on the ideXlab platform.

  • Investigation into maximum temperature of synthesis reaction for single kinetically controlled liquid–liquid semibatch reactions with arbitrary reaction order
    Journal of Thermal Analysis and Calorimetry, 2020
    Co-Authors: Xiaoyu Jiang, Wei Feng, Wanghua Chen
    Abstract:

    Maximum temperature of synthesis reaction (MTSR) is an essential concept to assess the thermal runaway risk and design safe operating conditions for semibatch reactors (SBRs). According to the definition, the values of MTSR will change with the reaction temperature (T). So far, the behavior of MTSR for liquid–liquid semibatch reactions with arbitrary reaction order has not been thoroughly researched. In this work, it is Theoretically and experimentally verified that MTSR versus T profiles are prone to present an ‘S’ shape for strongly exothermic kinetically controlled liquid–liquid reactions. That means that the dependence of MTSR on T is complex. A Theoretical Criterion to determine whether MTSR will increase with T increasing is developed in this work. This Criterion states that if the Criterion is negative, MTSR will increase as T increases. To validate this Criterion, the nitration of 4-chloro benzotrifluorid by mixed acid was conducted. The Theoretical Criterion can contribute to design safe operating conditions for SBRs.

  • Insights into maximum temperature of synthesis reactions in isothermal homogeneous semibatch reactors
    Thermochimica Acta, 2018
    Co-Authors: Shiran Li, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Abstract Semibatch reactors (SBRs) are commonly used to conduct exothermic reaction in the pharmaceutical and fine chemical industries. From the thermal safety point of view, low MTSR (maximum temperature of synthesis reactions) is desirable. We have found that MTSR vs process temperature (T) profile favorably present S-shape in isothermal homogeneous SBRs involving highly exothermic or slow reactions. However, the Criterion to determine the dependency of MTSR on T has been not thoroughly studied. In this work, such a Theoretical Criterion will be developed based on the fact that the derivative of MTSR to T is zero at the reaction temperature at which the lowest value of MTSR is obtained and experimentally validated by the hydrolysis reaction of acetic anhydride. To develop such a Criterion, the quantitative relationship between the maximum accumulation Xac,max and Damkohler number (Da) for isothermal homogeneous semibatch reactions of arbitrary kinetic orders is first developed and numerically verified.

  • Insights into Maximum Temperature of Synthesis Reaction for Liquid–Liquid Semibatch Reactions: Diffusion Controlled Reactions of Arbitrary Orders
    Industrial & Engineering Chemistry Research, 2018
    Co-Authors: Wei Feng, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Semibatch reactors (SBRs) are commonly used in the fine and pharmaceutical industries. To prevent thermal runaway incidents in SBRs, the values of maximum temperature of synthesis reaction under adiabatic conditions (MTSR) are expected to be as low as possible. In this work, we experimentally and Theoretically demonstrate that MTSR vs reaction temperature(T) profiles tend to present an “S” shape for highly exothermic diffusion controlled liquid–liquid reactions. In other words, the values of MTSR may decrease with T increasing in a certain temperature range. To develop the Theoretical Criterion to check whether MTSR will increase with T increasing, the quantitative relationship between the maximum accumulation (Xac,max) and vADaREκ1/2 is developed first. Then the Theoretical Criterion is developed based on the fact that the first-order derivative of MTSR is equivalent to zero at the optimal reaction temperature. To validate the Theoretical Criterion, two simulation cases and the reaction of toluene mononi...

Wei Feng - One of the best experts on this subject based on the ideXlab platform.

  • Investigation into maximum temperature of synthesis reaction for single kinetically controlled liquid–liquid semibatch reactions with arbitrary reaction order
    Journal of Thermal Analysis and Calorimetry, 2020
    Co-Authors: Xiaoyu Jiang, Wei Feng, Wanghua Chen
    Abstract:

    Maximum temperature of synthesis reaction (MTSR) is an essential concept to assess the thermal runaway risk and design safe operating conditions for semibatch reactors (SBRs). According to the definition, the values of MTSR will change with the reaction temperature (T). So far, the behavior of MTSR for liquid–liquid semibatch reactions with arbitrary reaction order has not been thoroughly researched. In this work, it is Theoretically and experimentally verified that MTSR versus T profiles are prone to present an ‘S’ shape for strongly exothermic kinetically controlled liquid–liquid reactions. That means that the dependence of MTSR on T is complex. A Theoretical Criterion to determine whether MTSR will increase with T increasing is developed in this work. This Criterion states that if the Criterion is negative, MTSR will increase as T increases. To validate this Criterion, the nitration of 4-chloro benzotrifluorid by mixed acid was conducted. The Theoretical Criterion can contribute to design safe operating conditions for SBRs.

  • Insights into Maximum Temperature of Synthesis Reaction for Liquid–Liquid Semibatch Reactions: Diffusion Controlled Reactions of Arbitrary Orders
    Industrial & Engineering Chemistry Research, 2018
    Co-Authors: Wei Feng, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Semibatch reactors (SBRs) are commonly used in the fine and pharmaceutical industries. To prevent thermal runaway incidents in SBRs, the values of maximum temperature of synthesis reaction under adiabatic conditions (MTSR) are expected to be as low as possible. In this work, we experimentally and Theoretically demonstrate that MTSR vs reaction temperature(T) profiles tend to present an “S” shape for highly exothermic diffusion controlled liquid–liquid reactions. In other words, the values of MTSR may decrease with T increasing in a certain temperature range. To develop the Theoretical Criterion to check whether MTSR will increase with T increasing, the quantitative relationship between the maximum accumulation (Xac,max) and vADaREκ1/2 is developed first. Then the Theoretical Criterion is developed based on the fact that the first-order derivative of MTSR is equivalent to zero at the optimal reaction temperature. To validate the Theoretical Criterion, two simulation cases and the reaction of toluene mononi...

Liping Chen - One of the best experts on this subject based on the ideXlab platform.

  • Insights into maximum temperature of synthesis reactions in isothermal homogeneous semibatch reactors
    Thermochimica Acta, 2018
    Co-Authors: Shiran Li, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Abstract Semibatch reactors (SBRs) are commonly used to conduct exothermic reaction in the pharmaceutical and fine chemical industries. From the thermal safety point of view, low MTSR (maximum temperature of synthesis reactions) is desirable. We have found that MTSR vs process temperature (T) profile favorably present S-shape in isothermal homogeneous SBRs involving highly exothermic or slow reactions. However, the Criterion to determine the dependency of MTSR on T has been not thoroughly studied. In this work, such a Theoretical Criterion will be developed based on the fact that the derivative of MTSR to T is zero at the reaction temperature at which the lowest value of MTSR is obtained and experimentally validated by the hydrolysis reaction of acetic anhydride. To develop such a Criterion, the quantitative relationship between the maximum accumulation Xac,max and Damkohler number (Da) for isothermal homogeneous semibatch reactions of arbitrary kinetic orders is first developed and numerically verified.

  • Insights into Maximum Temperature of Synthesis Reaction for Liquid–Liquid Semibatch Reactions: Diffusion Controlled Reactions of Arbitrary Orders
    Industrial & Engineering Chemistry Research, 2018
    Co-Authors: Wei Feng, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Semibatch reactors (SBRs) are commonly used in the fine and pharmaceutical industries. To prevent thermal runaway incidents in SBRs, the values of maximum temperature of synthesis reaction under adiabatic conditions (MTSR) are expected to be as low as possible. In this work, we experimentally and Theoretically demonstrate that MTSR vs reaction temperature(T) profiles tend to present an “S” shape for highly exothermic diffusion controlled liquid–liquid reactions. In other words, the values of MTSR may decrease with T increasing in a certain temperature range. To develop the Theoretical Criterion to check whether MTSR will increase with T increasing, the quantitative relationship between the maximum accumulation (Xac,max) and vADaREκ1/2 is developed first. Then the Theoretical Criterion is developed based on the fact that the first-order derivative of MTSR is equivalent to zero at the optimal reaction temperature. To validate the Theoretical Criterion, two simulation cases and the reaction of toluene mononi...

Peng Zhou - One of the best experts on this subject based on the ideXlab platform.

  • Insights into maximum temperature of synthesis reactions in isothermal homogeneous semibatch reactors
    Thermochimica Acta, 2018
    Co-Authors: Shiran Li, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Abstract Semibatch reactors (SBRs) are commonly used to conduct exothermic reaction in the pharmaceutical and fine chemical industries. From the thermal safety point of view, low MTSR (maximum temperature of synthesis reactions) is desirable. We have found that MTSR vs process temperature (T) profile favorably present S-shape in isothermal homogeneous SBRs involving highly exothermic or slow reactions. However, the Criterion to determine the dependency of MTSR on T has been not thoroughly studied. In this work, such a Theoretical Criterion will be developed based on the fact that the derivative of MTSR to T is zero at the reaction temperature at which the lowest value of MTSR is obtained and experimentally validated by the hydrolysis reaction of acetic anhydride. To develop such a Criterion, the quantitative relationship between the maximum accumulation Xac,max and Damkohler number (Da) for isothermal homogeneous semibatch reactions of arbitrary kinetic orders is first developed and numerically verified.

  • Insights into Maximum Temperature of Synthesis Reaction for Liquid–Liquid Semibatch Reactions: Diffusion Controlled Reactions of Arbitrary Orders
    Industrial & Engineering Chemistry Research, 2018
    Co-Authors: Wei Feng, Peng Zhou, Liping Chen, Wanghua Chen
    Abstract:

    Semibatch reactors (SBRs) are commonly used in the fine and pharmaceutical industries. To prevent thermal runaway incidents in SBRs, the values of maximum temperature of synthesis reaction under adiabatic conditions (MTSR) are expected to be as low as possible. In this work, we experimentally and Theoretically demonstrate that MTSR vs reaction temperature(T) profiles tend to present an “S” shape for highly exothermic diffusion controlled liquid–liquid reactions. In other words, the values of MTSR may decrease with T increasing in a certain temperature range. To develop the Theoretical Criterion to check whether MTSR will increase with T increasing, the quantitative relationship between the maximum accumulation (Xac,max) and vADaREκ1/2 is developed first. Then the Theoretical Criterion is developed based on the fact that the first-order derivative of MTSR is equivalent to zero at the optimal reaction temperature. To validate the Theoretical Criterion, two simulation cases and the reaction of toluene mononi...

P. Salvo Rossi - One of the best experts on this subject based on the ideXlab platform.

  • Quantizer Design for Generalized Locally-Optimum Detectors in Wireless Sensor Networks
    IEEE Wireless Communications Letters, 2017
    Co-Authors: Domenico Ciuonzo, P. Salvo Rossi
    Abstract:

    We tackle distributed detection of a non-cooperative (i.e. whose emitted power is unknown) target with a Wireless Sensor Network (WSN). When the target is present, sensors observe an (unknown) randomly-fluctuating signal with attenuation depending on the distance between the sensor and the (unknown) target positions, embedded in Gaussian noise. The Fusion Center (FC) receives (only) sensor decisions through error-prone Binary Symmetric Channels (BSCs) and is in charge of performing a more-accurate global inference. The resulting test is one-sided with nuisance parameters (i.e. the target position) present only under the hypothesis H₁. To reduce the complexity of Generalized Likelihood Ratio Test (GLRT), a generalized locally-optimum detection test (based on Davies’ framework) is investigated and a corresponding sensor threshold optimization (based on a semi-Theoretical Criterion) is developed and verified through simulations. IEEE