ESR 4.1 - Anjan Kumar Tula
ESR 4.1 - Anjan Kumar Tula
Host institution: DTU
Duration: 36 months
Email: antu@kt.dtu.dk
Improved LCA methodology and software tool for biorenewable products and processes
- Short CV
- Objective
- Current Status
- Future 6-months Plan
- Secondments
- Publications - Conferences
- Posters
- Annex
Objective
Development of property prediction models based on the GC+ approach (combined Group Contribution method and Connectivity Index method) to provide reliable estimates of pure component properties and environmental related properties together with uncertainties of the estimated property values for bio-renewables. The developed pure component property models will be later used in process-design and simulation stage and the environmental related properties are used to estimate the human & Eco toxicity which will be used in LCA methodology to understand the overall impacts generated by various process alternatives involving bio-renewables.
Current Status
In the first phase 21 thermo-physical and transport properties of pure components are selected for the property modeling: normal boiling point (Tb), critical temperature (Tc), critical pressure (Pc), critical volume (Vc), normal melting point (Tm), standard Gibbs energy of formation (Gf), standard enthalpy of formation (Hf), normal enthalpy of fusion (Hfus), enthalpy of vaporization at 298 K (Hv), enthalpy of vaporization at the normal boiling point (Hvb), entropy of vaporization at the normal boiling point (Svb), flash point (Fp), auto ignition temperature (Ait), Hansen solubility parameters (δD, δP, and δH), Hildebrand solubility parameter (δ), octanol/water partition coefficient (Logkow), acentric factor (ω), liquid molar volume at 298 K (Vm), liquid viscosity (µ), liquid surface tension (σ), and liquid thermal conductivity (k). Property models are developed using the data from various sources and are being verified for consistency and prediction power.
Future 6-months Plan
The property models developed will be verified for consistency and prediction power. Later I will move on to developing property models and uncertainty analysis to include environment related properties like fathead minnow 96-h LC50, oral rat LD50, bio-concentration factor, global warming potential, emission to urban air (carcinogenic and non-carcinogenic) etc.
Posters
PSE/ESCAPE -2015 : Method for innovative synthesis-design of chemical process flowsheets Anjan Kumar Tula, Mario R. Eden, Rafiqul Gani
Annex
| Fellow ESR 4.1 |
Host institution DTU - PhD enrolment: Y |
Duration 36 months |
Start date M2 |
| Project title : : Improved LCA methodology and software tool for biorenewable products and processes. Work packages : WP1, WP4, WP5, WP6. Supervisor name: Prof. Rafiqul Gani, or someone with the same level of expertise and /or experience. | |||
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Objectives:
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Tasks and methodology:
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| Results: GC+ based property models for estimating physical and environmental related properties of pure components & analysis of the uncertainty of their predictions, A report on the improved LCA procedure with predictive models and uncertainty analysis, Software prototype of integrated LCA tool for sustainability analysis and process design | |||
| Dissemination: 1 Manuscript as conference proceedings for ESCAPE 24 , Participation in ESCAPE24, 1 Manuscript as conference proceedings in PSE 2015/ESCAPE25, Participation in PSE2015/ESCAPE25, 1 journal manuscript in computers and chemical engineering, 1 journal manuscript industrial engineering and chemistry research | |||
Planned secondment:
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