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README.md

Reaction Scheme | Nomenclature | Key Variable Profiles | Operating Conditions Optimization | Reactor Dimensions Optimization | Literature Comparsion |

DEHYDROGENATION REACTORS FOR STYRENE PRODUCTION

Reaction-Scheme:

Thermal Reactions | Catalytic Reactions |

Thermal-Reactions:

Thermal Reaction Number	Reaction	Reation Rate
1	$C_{8}H_{10} \iff C_{8}H_{8} + H_{2}$	$r_{t1}=k_{t1}(P_{EB}-\frac{P_{ST}P_{H_{2}}}{K_{eq}})$
2	$C_{8}H_{10}\longrightarrow C_{6}H_{6} + C_{2}H_{4}$	$r_{t2}=k_{t2}P_{EB}$
3	$C_{8}H_{10} + H_{2} \longrightarrow C_{7}H_{8} + CH_{4}$	$r_{t3}=k_{t3}P_{EB}$

Catalytic-Reactions:

Catalytic Reaction Number	Reaction	Reation Rate
1	$C_{8}H_{10} \iff C_{8}H_{8} + H_{2}$	$r_{C1}=\frac{k_{1}K_{EB}(P_{EB}-\frac{P_{ST}P_{H2}}{K_{eq}})}{(1+K_{EB}P_{EB}+K_{H_{2}}P_{H_{2}}+K_{ST}P_{ST})^2}$
2	$C_{8}H_{10} \longrightarrow C_{6}H_{6} + C_{2}H_{4}$	$r_{C2}=\frac{k_{2}K_{EB}P_{EB}}{(1+K_{EB}P_{EB}+K_{H_{2}}P_{H_{2}}+K_{ST}P_{ST})^2}$
3	$C_{8}H_{10} + H_{2}\longrightarrow C_{7}H_{8} + CH_{4}$	$r_{C3}=\frac{k_{3}K_{EB}P_{EB}K_{H_{2}}P_{H_{2}}}{(1+K_{EB}P_{EB}+K_{H_{2}}P_{H_{2}}+K_{ST}P_{ST})^2}$
4	$C_{8}H_{8} + 2H_{2}\longrightarrow C_{7}H_{8} + CH_{4}$	$r_{C4}=\frac{k_{3}K_{EB}P_{EB}K_{H_{2}}P_{H_{2}}}{(1+K_{EB}P_{EB}+K_{H_{2}}P_{H_{2}}+K_{ST}P_{ST})^2}$

Nomenclature

Thermal Reactions | Catalytic Reactions | Adsorption | Partial Pressure of Components| Concentration of Components | Heat of Reactions | Heat Capacities of Components | Physical Properties of Catalyst | Dimensions of Reactors | Physical Properties of Feed Mixtures | Initial Flowrates and Temperatures of Feeds | Conversions of Reactants |

Thermal-Reaction:

Symbol	Meaning	Unit
	The pre-exponential factor for the first thermal reaction
	The pre-exponential factor for the second thermal reaction
	The pre-exponential factor for the third thermal reaction
	The activation energy for the first thermal reaction
	The activation energey for the second thermal reaction
	The activation energey for the third thermal reaction
${\color{Green} R}$	Gas Constant	${\color{Green} 8.314J/molK}$
	The rate coefficient of the first thermal reaction
	The rate coefficient of the second thermal reaction
	The rate coefficient of the third thermal reaction
	The reaction rate of the first thermal reaction
	The reaction rate of the second thermal reaction
	The reaction rate of the third thermal reaction

Catalytic-Reaction:

Symbol	Meaning	Unit
	The pre-exponential factor for the first catalytic reaction	$kmol/kg\cdot cath$
	The pre-exponential factor for the second catalytic reaction	$kmol/kg\cdot cath$
	The pre-exponential factor for the third catalytic reaction	$kmol/kg\cdot cath$
	The activation energy for the first catalytic reaction
	The activation energy for the second catalytic reaction
	The activation energy for the third catalytic reaction
	The rate coefficient of the first catalytic reaction	$kmol/kg\cdot cath$
	The rate coefficient of the second catalytic reaction	$kmol/kg\cdot cath$
	The rate coefficient of the third catalytic reaction	$kmol/kg\cdot cath$
	The rate coefficient of the fourth catalytic reaction	$kmol/kg\cdot cath$
	The kinetic equilibrium constant for the first reversible reaction
	The reaction rate of the first catalytic reaction	$kmol/kg\cdot cath$
	The reaction rate of the second catalytic reaction	$kmol/kg\cdot cath$
	The reaction rate of the third catalytic reaction	$kmol/kg\cdot cath$
	The reaction rate of the fourth catalytic reaction	$kmol/kg\cdot cath$

Adsorption:

Symbol	Meaning	Unit
	The pre-exponential factor for ethylbenzene adsorption
	The pre-exponential factor for styrene adsorption
	The pre-exponential factor for hydrogen adsorption
$\Delta HaEB$	Adsorption enthalpy of ethylbenzene
$\Delta HaST$	Adsorption enthalpy of styrene
$\Delta HaH2$	Adsorption enthalpy of hydrogen
	The adsorption equilibrium constant of ethylbenzene
	The adsorption equilibrium constant of styrene
	The adsorption equilibrium constant of hydrogen

Partial-Pressures-of-Components

Symbol	Meaning	Unit
	The partial pressure of ethylbenzene
	The partial pressure of styrene
	The partial pressure of benzene
	The partial pressure of hydrogen
	The partial pressure of ethylene
	The partial pressure of toluene
	The partial pressure of water
	The partial pressure of methane
	The total pressure of gax mixtures within the first reactor
	The total pressure of gax mixtures within the second reactor

Concentration-of-Components

Symbol	Meaning	Unit
	The concentration of ethylbenzene in the first reactor
	The concentration of styrene in the first reactor
	The concentration of benzene in the first reactor
	The concentration of hydrogen in the first reactor
	The concentration of ethylene in the first reactor
	The concentration of water in the first reactor
	The concentration of toluene in the first reactor
	The concentration of methane in the first reactor
	The concentration of ethylbenzene in the second reactor
	The concentration of styrene in the second reactor
	The concentration of benzene in the second reactor
	The concentration of hydrogen in the second reactor
	The concentration of ethylene in the second reactor
	The concentration of water in the second reactor
	The concentration of toluene in the second reactor
	The concentration of methane in the second reactor

Selectivity-of-Products:

Symbol	Meaning	Unit
	The selectivity of styrene in the first reactor
	The selectivity of benzene in the first reactor
	The selectivity of toluene in the first reactor
	The selectivity of hydrogen in the first reactor
	The selectivity of styrene in the second reactor
	The selectivity of benzene in the second reactor
	The selectivity of toluene in the second reactor
	The selectivity of hydrogen in the first reactor

Heat-of-Reactions:

Symbol	Meaning	Unit
$\Delta H1$	Reaction enthalpy of the first reaction
$\Delta H2$	Reaction enthalpy of the second reaction
$\Delta H3$	Reaction enthalpy of the third reaction
$\Delta H4$	Reaction enthalpy of the fourth reaction

Heat-Capacities-of-Components:

Symbol	Meaning	Unit
	Heat capacity of ethylbenzene
	Heat capacity of styrene
	Heat capacity of benzene
	Heat capacity of toluene
	Heat capacity of hydrogen
	Heat capacity of water

Physical-Properties-of-Catalyst:

Symbol	Meaning	Unit
	Catalyst equivalent pellet diameter
$\rho b$	Catalyst bulk diameter	$kg\cdot cat/m^3$
$\rho s$	Catalyst pellet density	$kg\cdot cat/m^3$
$\varepsilon s$	Catalyst interval void fraction
$\tau$	Tortuosity of the catalyst
$\varepsilon$	Void fraction of the beds

Dimensions-of-Reactors:

Symbol	Meaning	Unit
	Outer diameter of the reactors
	Inner diameter of the reactors
	The height of the reactors
	The cross section area of the reactors
	The total height of the reactors

Physical-Properties-of-Feed-Mixtures:

Symbol	Meaning	Unit
$\mu$	The viscosity of the mixture
	The superficial velocity of the inlet feed stream
	The superficial velocity of the inlet feed stream
$\rho g$	Density of the gas mixture

Initial-Flowrates-and-Temperatures-of-Feeds:

Symbol	Meaning	Unit
	The initial molar flowrate of ethylbenzene
	The initial molar flowrate of styrene
	The initial molar flowrate of benzne
	The initial molar flowrate of toluene
	The initial molar flowrate of hydrogen
	The initial molar flowrate of methane
	The initial molar flowrate of ethylene
	The initial molar flowrate of water
	The initial molar flowrate of the feed stream
	Temperature of gas mixutures

Conversions-of-Reactants:

Symbol	Meaning	Unit
X1EB	Conversion of ethylbenzene in the first reactor	None
X1BZ	Conversion of benzene in the first reactor	None
X1TO	Conversion of toluene in the first reactor	None
X1H2	Conversion of hydrogen in the first reactor	None
X2EB	Conversion of ethylbenzene in the second reactor	None
X2BZ	COnversion of benzene in the second reactor	None
X2TO	Conversion of toluene in the second reactor	None
X2H2	Conversion of hydrogen in the second reactor	None