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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

Short CV

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.

Secondments

Completed my first secondment at Quantis (Laussane) from March 15th- April 15th (2015).

Publications - Conferences

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.

Objectives:

  • To develop group contribution plus (GC+)based models to estimate physical and environmental related properties for biorenewables and perform uncertainty analysis of their predictions.
  • To develop an improved LCA methodology and database by incorporating predictive property modelling and uncertainty analysis to increase range of applicability of LCA based process analysis.
  • To develop integrated LCA tool and software for sustainable design of biorenewables.
  • To contribute to development of data structure for integrating data and information for biorenewables.
Tasks and methodology:
  • Task 1 Development of improved LCA methodology incorporating predictive property modelling and uncertainty analysis.
  • Task 2 Development of integrated LCA tool and software for sustainable process design & contribute to development of biorenewable workbooks
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:
  • Quantis 1 month Consolidate LCA methodology for webtool development
  • UOS 2 months LCA integration with supply chain models

 

 

 

 

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