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Computers and Chemical Engineering 57 (2013) v–vi doi:10.1016/S0098-1354(13)00255-X Contents ISSN 0098–1354 I. A. Karimi and R. Srinivasan D. Manca Z. Friedman, J. Ingalls, J.D. Siirola and J.-P. Watson K. Wang, Z. Shao, Y. Lang, J. Qian and L.T. Biegler S.R.W. Alwi, Z.A. Manan, M. Misman and W.S. Chuah L. Simasatitkul, A. Arpornwichanop and R. Gani Y.-C. Wu, H.-Y. Lee, C.-Y. Tsai, H.-P. Huang and I.-L. Chien M.E. Cóccola, M. Zamarripa, C.A. Méndez and A. Espuña S. Kabra, M.A. Shaik and A.S. Rathore P.Y. Liew, S.R. Wan Alwi, P.S. Varbanov, Z.A. Manan and J.J. Klemeš Editorial 1 Preface to PSE-2012 Special Issue MODELING AND OPTIMIZATION 3 Modeling the commodity fluctuations of OPEX terms 10 Block-oriented modeling of superstructure optimization problems 24 Barrier NLP methods with structured regularization for optimization of degenerate optimization problems PROCESS INTEGRATION 30 SePTA—A new numerical tool for simultaneous targeting and design of heat exchanger networks 48 Design methodology for bio-based processing: Biodiesel and fatty alcohol production 63 Design and control of a reactive-distillation process for esterification of an alcohol mixture containing ethanol and n-butanol PLANNING AND SCHEDULING 78 Toward integrated production and distribution management in multi-echelon supply chains 95 Multi-period scheduling of a multi-stage multi-product bio-pharmaceutical process 104 Centralised utility system planning for a Total Site Heat Integration network Contents lists available at ScienceDirect Computers and Chemical Engineering journal homepage: www.elsevier.com/locate/compchemeng Special Issue: PSE-2012

Special Issue Contents

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Page 1: Special Issue Contents

Computers and Chemical Engineering 57 (2013) v–vi

doi:10.1016/S0098-1354(13)00255-X

Contents

ISSN 0098–1354

I. A. Karimi and R. Srinivasan

D. Manca

Z. Friedman, J. Ingalls, J.D. Siirola and J.-P. Watson

K. Wang, Z. Shao, Y. Lang, J. Qian and L.T. Biegler

S.R.W. Alwi, Z.A. Manan, M. Misman and W.S. Chuah

L. Simasatitkul, A. Arpornwichanop and R. Gani

Y.-C. Wu, H.-Y. Lee, C.-Y. Tsai, H.-P. Huang and I.-L. Chien

M.E. Cóccola, M. Zamarripa, C.A. Méndez and A. Espuña

S. Kabra, M.A. Shaik and A.S. Rathore

P.Y. Liew, S.R. Wan Alwi, P.S. Varbanov, Z.A. Manan and J.J. Klemeš

Editorial

1 Preface to PSE-2012 Special Issue

MODELING AND OPTIMIZATION

3 Modeling the commodity fl uctuations of OPEX terms

10 Block-oriented modeling of superstructure optimization problems

24 Barrier NLP methods with structured regularization for optimization of degenerate optimization problems

PROCESS INTEGRATION

30 SePTA—A new numerical tool for simultaneous targeting and design of heat exchanger networks

48 Design methodology for bio-based processing: Biodiesel and fatty alcohol production

63 Design and control of a reactive-distillation process for esterifi cation of an alcohol mixture containing ethanol and n-butanol

PLANNING AND SCHEDULING

78 Toward integrated production and distribution management in multi-echelon supply chains

95 Multi-period scheduling of a multi-stage multi-product bio-pharmaceutical process

104 Centralised utility system planning for a Total Site Heat Integration network

Contents lists available at ScienceDirect

Computers and Chemical Engineering

journal homepage: www.elsevier .com/locate/compchemeng

Special Issue: PSE-2012

Page 2: Special Issue Contents

vi Contents

R. Batres

S. Munusamy, S. Narasimhan and N.S. Kaisare

J.J. Liu, Y.D. Hu and X.Z. Wang

J.-C. Jeng and W.-C. Chen

V.S.K. Adi and C.-T. Chang

Z. Zhao, B. Huang and F. Liu

Y. Shu and J. Zhao

Y. Hashimoto, T. Toyoshima, S. Yogo, M. Koike, T. Hamaguchi, S. Jing and I. Koshijima

E. Pefani, N. Panoskaltsis, A. Mantalaris, M.C. Georgiadis and E.N. Pistikopoulos

N. Pavurala and L.E.K. Achenie

112 Generation of operating procedures for a mixing tank with a micro genetic algorithm

PROCESS CONTROL

122 Approximate dynamic programming based control of hyperbolic PDE systems using reduced-order models from method of characteristics

133 Optimization and control of crystal shape and size in protein crystallization process

141 Control strategies for thermal budget and temperature uniformity in spike rapid thermal processing systems

PROCESS OPERATIONS AND SAFETY

151 A mathematical programming formulation for temporal fl exibility analysis

159 Parameter estimation in batch process using EM algorithm with particle fi lter

173 Data-driven causal inference based on a modifi ed transfer entropy

181 Safety securing approach against cyber-attacks for process control system

BIOMEDICAL APPLICATIONS

187 Design of optimal patient-specific chemotherapy protocols for the treatment of acute myeloid leukemia (AML)

196 A mechanistic approach for modeling oral drug delivery