Engineering Crystallography: From Molecule to Crystal to Functional Form

1. Front Matter

   Pages i-xxiii

   PDF

2. Form

   1. Front Matter

      Pages 1-1

      PDF

   2. Crystal Science Fundamentals

      • Vasuki Ramachandran, Peter J. Halfpenny, Kevin J. Roberts

      Pages 3-19

   3. Molecular Structure and Chirality and Chiral Crystals

      • Reiko Kuroda

      Pages 21-34

   4. Supramolecular Assembly and Solid State Chemistry

      • Christer B. Aakeröy, Manomi D. Perera

      Pages 35-44

   5. Solid Form Landscape and Design of Physical Properties

      • Christer B. Aakeröy, Bhupinder Sandhu

      Pages 45-56

   6. Design of Physical Properties and Solid Form Design

      • Robert Docherty, Kevin Back

      Pages 57-70

   7. Modelling Route Map: From Molecule Through the Solution State to Crystals

      • Robert B. Hammond

      Pages 71-108

   8. Crystal Growth and Morphology of Molecular Crystals

      • Ian Rosbottom, Kevin J. Roberts

      Pages 109-131

   9. Determining Surface Energetics of Solid Surfaces

      • Jerry Y. Y. Heng

      Pages 133-144

   10. Crystal Effects Influencing the Course of Organic Solid State Reactions: Perfect, Imperfect and Surface Effects

       • William Jones

       Pages 145-154

   11. Synthonic Engineering Modelling Tools for Product and Process Design

       • Jonathan Pickering, Robert B. Hammond, Vasuki Ramachandran, Majeed Soufian, Kevin J. Roberts

       Pages 155-176

3. Formation

   1. Front Matter

      Pages 177-177

      PDF

   2. Crystallisation Route Map

      • Diana M. Camacho Corzo, Cai Y. Ma, Vasuki Ramachandran, Tariq Mahmud, Kevin J. Roberts

      Pages 179-213

   3. Phase Diagrams for Process Design

      • Gerard Coquerel

      Pages 215-233

   4. Seeding in Crystallisation

      • Jose V. Parambil, Jerry Y. Y. Heng

      Pages 235-245

   5. Preparation, Stabilisation and Advantages of Metastable Polymorphs

      • Ana Kwokal

      Pages 247-260

   6. Crystallisation Control by Process Analytical Technology

      • Ana Kwokal

      Pages 261-273

   7. Methods for Nano-Crystals Preparation

      • Samir A. Kulkarni, Allan S. Myerson

      Pages 275-287

   8. Crystallization Control Approaches and Models

      • Zoltan K. Nagy

      Pages 289-300

This book highlights the current state-of-the-art regarding the application of applied crystallographic methodologies for understanding, predicting and controlling the transformation from the molecular to crystalline state with the latter exhibiting pre-defined properties. This philosophy is built around the fundamental principles underpinning the three inter-connected themes of Form (what), Formation (how) and Function (why). Topics covered include: molecular and crystal structure, chirality and ferromagnetism, supramolecular assembly, defects and reactivity, morphology and surface energetics. Approaches for preparing crystals and nano-crystals with novel physical, chemical and mechanical properties include: crystallisation, seeding, phase diagrams, polymorphic control, chiral separation, ultrasonic techniques and mechano-chemistry. The vision is realised through examination of a range of advanced analytical characterisation techniques including in-situ studies. The work is underpinned through an unprecedented structural perspective of molecular features, solid-state packing arrangements and surface energetics as well as in-situ studies. This work will be of interest to researchers, industrialists, intellectual property specialists and policy makers interested in the latest developments in the design and supply of advanced high added-value organic solid-form materials and product composites.

• Molecule to crystal to functional form
• Advanced process analysis and control
• Crystallisation science and enginering
• Digital quality by design of products and processes
• High added-value materials and their characterisation

• School of Chemical & Process Engineering, University of Leeds, Leeds, United Kingdom

  Kevin J. Roberts

• Pfizer Global R&D, Pharmaceutical Sciences, Pfizer Global R&D, Sandwich, United Kingdom

  Robert Docherty

• Graduate School of Human and Environmental Studies, Kyoto University, Sakyo-ku, Japan

  Rui Tamura

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