An integrated computer aided system for integrated design of chemical processes

Gani, Rafiqul; Hytoft, Glen; Jaksland, Cecilia; Jensen, Anne Krogh

doi:10.1016/s0098-1354(96)00324-9

Cited by 120 publications

(50 citation statements)

References 13 publications

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“…The stoichiometry and yield of the reactions are required as input parameters as well as pure component properties, like the molar mass or the components enthalpy of formation, which are easily accessible via literature search or group-contribution methods. [42][43][44] The analysis of these networks is based on a molar flux balance, balancing the sources (reactants) of a network as well as the sinks (products) according to the reaction stoichiometry as expressed in Eq. 1:…”

Section: Reaction Network Flux Analysismentioning

confidence: 99%

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Early‐stage evaluation of biorefinery processing pathways using process network flux analysis

et al. 2016

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With growing interest in the biomass value chain, a multitude of reactions are proposed in literature for the conversion of biomass into a variety of biofuels. In the early design stage, data for a detailed design is scarce rendering an indepth analysis of all possibilities challenging. In this contribution, the screening methodology process network flux analysis (PNFA) is introduced assessing systematically the cost and energy performance of processing pathways. Based on the limited data available, a ranking of biorefinery pathways and a detection of bottlenecks is achieved by considering the reaction performance as well as the feasibility and energy demand of various separation strategies using thermodynamic sound shortcut models. PNFA is applied to a network of six gasoline biofuels from lignocellulosic biomass. While 2-butanol is ruled out due to a lack in yield and selectivity, iso-butanol and 2-butanone are identified as economically promising fuels beyond ethanol. Topical area: Process Systems Engineering.

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Section: Reaction Network Flux Analysismentioning

confidence: 99%

“…For the analysis, multicomponent mixtures can be subdivided into binary mixtures. The required properties are easily accessible via literature search or group-contribution methods and software tools [42][43][44] enabling an easy and fast application hence setting a basis for the separations in the PNFA.…”

mentioning

confidence: 99%

Early‐stage evaluation of biorefinery processing pathways using process network flux analysis

et al. 2016

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“…Furthermore, the heat of reaction is an important criterion which can be obtained from the heat of formation of each component. The latter are obtained from a database [10]. If a compound does not exist within the database, then the heat of formation is estimated by a property prediction tool, ProPred [10], which uses a group contribution approach [24].…”

Section: 43mentioning

confidence: 99%

“…The latter are obtained from a database [10]. If a compound does not exist within the database, then the heat of formation is estimated by a property prediction tool, ProPred [10], which uses a group contribution approach [24]. The output data are a set of suitable reaction pathways, the type, state and purity of the raw materials and the type of catalyst (if any) used in the reaction.…”

Section: 43mentioning

confidence: 99%

“…The membrane chosen is a PVA membrane produced by Sulzer Chemtech, PERVAP 2201 [3,31]. The semi-batch model was analyzed and solved using ICAS-MoT [10] in order to study the feasibility of achieving a HOAc conversion greater than the equilibrium conversion. From the model based membrane reactor analysis it was found that a conversion of HOAc of 92% can be achieved.…”

Section: Detailed Analysis Of Flowsheet Alternatives 3-4mentioning

confidence: 99%

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