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7 Risk Assessment and Management of Chemical Processes
Physicochemical Properties and Chemical Hazard Data
• Composition, contaminants, etc.
• Physical state, volatility, solubility, etc.
• Thermal hazard data 1 such as the heat of reaction, reaction rate, generation of
gases, etc. of the desired reaction, side reactions, consecutive reactions, and
decomposition reactions.
• Chemical incompatibility or interaction matrices including the reactivity of
process chemicals with one another, apparatus construction materials, utilities,
the environment, contaminants, etc.
• Health hazards or human toxicity data such as LD 50 values, maximum allowable
workplace concentrations, carcinogenicity, etc. (see Sect. 6.3)
• Environmental hazard data, e.g., aquatic toxicity, bioaccumulation, biodegradability, etc. (see Sect. 6.3)
• Fire and explosion hazard data 2 such as flash point, explosion limits, ignition
temperature, etc.
Some main sources of physicochemical properties and chemical hazard data
include the scientific literature, chemical databases (such as SciFinder (Chemical
Abstracts Service, 2018) and PubChem (Kim et al., 2016)), and published chemical
encyclopedias (such as Ullmann’s Encylopedia of Industrial Chemistry (Elvers,
2000)). Data obtained by experimental means are prioritized, whereas calculated
methods such as quantitative structure-activity relationship models (QSARs) can
help to fill remaining data gaps.
Reaction and Process Condition Data
• Process parameters such as temperature, pressure, concentration, pH, volume,
reaction and decomposition time, etc.
• Phase transformations such as crystallization, melting, evaporation, sublimation,
etc. and effects during these phase transformations such as delayed boiling,
foaming, crust formation, etc.
• Electrostatic charge accumulation
Design Specification Data
• Process flow diagram with description of process steps, unit operations, and mass
and energy balances
• Equipment specifications such as type, size, material, vacuum and pressure
resistance, heating and cooling capacities, etc.
1 The analysis of thermal hazards will be presented in Chap. 8.
2 The definition of these properties and their relation to process safety are explained in Appendix
C.
7 Risk Assessment and Management of Chemical Processes
Physicochemical Properties and Chemical Hazard Data
• Composition, contaminants, etc.
• Physical state, volatility, solubility, etc.
• Thermal hazard data 1 such as the heat of reaction, reaction rate, generation of
gases, etc. of the desired reaction, side reactions, consecutive reactions, and
decomposition reactions.
• Chemical incompatibility or interaction matrices including the reactivity of
process chemicals with one another, apparatus construction materials, utilities,
the environment, contaminants, etc.
• Health hazards or human toxicity data such as LD 50 values, maximum allowable
workplace concentrations, carcinogenicity, etc. (see Sect. 6.3)
• Environmental hazard data, e.g., aquatic toxicity, bioaccumulation, biodegradability, etc. (see Sect. 6.3)
• Fire and explosion hazard data 2 such as flash point, explosion limits, ignition
temperature, etc.
Some main sources of physicochemical properties and chemical hazard data
include the scientific literature, chemical databases (such as SciFinder (Chemical
Abstracts Service, 2018) and PubChem (Kim et al., 2016)), and published chemical
encyclopedias (such as Ullmann’s Encylopedia of Industrial Chemistry (Elvers,
2000)). Data obtained by experimental means are prioritized, whereas calculated
methods such as quantitative structure-activity relationship models (QSARs) can
help to fill remaining data gaps.
Reaction and Process Condition Data
• Process parameters such as temperature, pressure, concentration, pH, volume,
reaction and decomposition time, etc.
• Phase transformations such as crystallization, melting, evaporation, sublimation,
etc. and effects during these phase transformations such as delayed boiling,
foaming, crust formation, etc.
• Electrostatic charge accumulation
Design Specification Data
• Process flow diagram with description of process steps, unit operations, and mass
and energy balances
• Equipment specifications such as type, size, material, vacuum and pressure
resistance, heating and cooling capacities, etc.
1 The analysis of thermal hazards will be presented in Chap. 8.
2 The definition of these properties and their relation to process safety are explained in Appendix
C.